190 Repositories
Python protein-design Libraries
Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.
Molecular Docking integrated in Jupyter Notebooks Description | Citation | Installation | Examples | Limitations | License Table of content Descriptio
Make posters from Markdown files.
MkPosters Create posters using Markdown. Supports icons, admonitions, and LaTeX mathematics. At the moment it is restricted to the specific layout of
RITA is a family of autoregressive protein models, developed by LightOn in collaboration with the OATML group at Oxford and the Debora Marks Lab at Harvard.
RITA: a Study on Scaling Up Generative Protein Sequence Models RITA is a family of autoregressive protein models, developed by a collaboration of Ligh
In this tutorial, you will perform inference across 10 well-known pre-trained object detectors and fine-tune on a custom dataset. Design and train your own object detector.
Object Detection Object detection is a computer vision task for locating instances of predefined objects in images or videos. In this tutorial, you wi
Implementation of a protein autoregressive language model, but with autoregressive infilling objective (editing subsequences capability)
Protein GLM (wip) Implementation of a protein autoregressive language model, but with autoregressive infilling objective (editing subsequences capabil
Implementation of the GVP-Transformer, which was used in the paper "Learning inverse folding from millions of predicted structures" for de novo protein design alongside Alphafold2
GVP Transformer (wip) Implementation of the GVP-Transformer, which was used in the paper Learning inverse folding from millions of predicted structure
Official implementation of "Generating 3D Molecules for Target Protein Binding"
Generating 3D Molecules for Target Protein Binding This is the official implementation of the GraphBP method proposed in the following paper. Meng Liu
Addon and nodes for working with structural biology and molecular data in Blender.
Molecular Nodes 🧬 🔬 💻 Buy Me a Coffee to Keep Development Going! Join a Community of Blender SciVis People! What is Molecular Nodes? Molecular Node
ProtFeat is protein feature extraction tool that utilizes POSSUM and iFeature.
Description: ProtFeat is designed to extract the protein features by employing POSSUM and iFeature python-based tools. ProtFeat includes a total of 39
API for RL algorithm design & testing of BCA (Building Control Agent) HVAC on EnergyPlus building energy simulator by wrapping their EMS Python API
RL - EmsPy (work In Progress...) The EmsPy Python package was made to facilitate Reinforcement Learning (RL) algorithm research for developing and tes
OntoSeer is a tool to help users build better quality ontologies
Ontoseer This document provides documentation for the first version of OntoSeer.OntoSeer is a tool that monitors the ontology development process andp
EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction
EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein
Benchmarking Pipeline for Prediction of Protein-Protein Interactions
B4PPI Benchmarking Pipeline for the Prediction of Protein-Protein Interactions How this benchmarking pipeline has been built, and how to use it, is de
GeneDisco is a benchmark suite for evaluating active learning algorithms for experimental design in drug discovery.
GeneDisco is a benchmark suite for evaluating active learning algorithms for experimental design in drug discovery.
The starter repository for submissions to the GeneDisco challenge for optimized experimental design in genetic perturbation experiments
GeneDisco ICLR-22 Challenge Starter Repository The starter repository for submissions to the GeneDisco challenge for optimized experimental design in
A small tool to test and visualize protein embeddings and amino acid proportions.
polyprotein_stats A small tool to test and visualize protein embeddings and amino acid proportions. Currently deployed on streamlit.io. Given a set of
Pytorch Implementation of "Desigining Network Design Spaces", Radosavovic et al. CVPR 2020.
RegNet Pytorch Implementation of "Desigining Network Design Spaces", Radosavovic et al. CVPR 2020. Paper | Official Implementation RegNet offer a very
Source code for EquiDock: Independent SE(3)-Equivariant Models for End-to-End Rigid Protein Docking (ICLR 2022)
Source code for EquiDock: Independent SE(3)-Equivariant Models for End-to-End Rigid Protein Docking (ICLR 2022) Please cite "Independent SE(3)-Equivar
Client-Server design (guess the closest number to the average score game)
Multiplayer game (enter the number closest to the average) Design Client-Server design The client's side is responsible for sending numbers from the g
Building a Mario-like, classic platformer game in Python using the PyGame Library
Building a Mario-like, classic platformer game in Python using the PyGame Library
An awesome list of AI for art and design - resources, and popular datasets and how we may apply computer vision tasks to art and design.
Awesome AI for Art & Design An awesome list of AI for art and design - resources, and popular datasets and how we may apply computer vision tasks to a
Reso is a low-level circuit design language and simulator, inspired by things like Redstone, Conway's Game of Life, and Wireworld.
Reso Reso is a low-level circuit design language and simulator, inspired by things like Redstone, Conway's Game of Life, and Wireworld. What is Reso?
RefineGNN - Iterative refinement graph neural network for antibody sequence-structure co-design (RefineGNN)
Iterative refinement graph neural network for antibody sequence-structure co-des
What games should I design next quarter?
Project1_Next-Quarter-Game-Design-Prediction What games should I design next quarter? 상황 : 게임회사 데이터팀 합류 문제 : '다음 분기에 어떤 게임을 설계해야할까' Data Description N
Codes and models for the paper "Learning Unknown from Correlations: Graph Neural Network for Inter-novel-protein Interaction Prediction".
GNN_PPI Codes and models for the paper "Learning Unknown from Correlations: Graph Neural Network for Inter-novel-protein Interaction Prediction". Lear
The MLOps is the process of continuous integration and continuous delivery of Machine Learning artifacts as a software product, keeping it inside a loop of Design, Model Development and Operations.
MLOps The MLOps is the process of continuous integration and continuous delivery of Machine Learning artifacts as a software product, keeping it insid
A large-scale benchmark for co-optimizing the design and control of soft robots, as seen in NeurIPS 2021.
Evolution Gym A large-scale benchmark for co-optimizing the design and control of soft robots. As seen in Evolution Gym: A Large-Scale Benchmark for E
OntoProtein: Protein Pretraining With Ontology Embedding
OntoProtein This is the implement of the paper "OntoProtein: Protein Pretraining With Ontology Embedding". OntoProtein is an effective method that mak
Improved Fitness Optimization Landscapes for Sequence Design
ReLSO Improved Fitness Optimization Landscapes for Sequence Design Description Citation How to run Training models Original data source Description In
Random pass word generator made with python. PyQt5 module is used to design GUI.
Differences in this GUI program : Default titlebar removed Custom Minimize,Maximize and Close Buttons Drag & move window from any point Program work l
Code for the paper "Generative design of breakwaters usign deep convolutional neural network as a surrogate model"
Generative design of breakwaters usign deep convolutional neural network as a surrogate model This repository contains the code for the paper "Generat
PROTEIN EXPRESSION ANALYSIS FOR DOWN SYNDROME
PROTEIN-EXPRESSION-ANALYSIS-FOR-DOWN-SYNDROME Down syndrome (DS) is a chromosomal disorder where organisms have an extra chromosome 21, sometimes know
HairCLIP: Design Your Hair by Text and Reference Image
Overview This repository hosts the official PyTorch implementation of the paper: "HairCLIP: Design Your Hair by Text and Reference Image". Our single
Single Red Blood Cell Hydrodynamic Traps Via the Generative Design
Rbc-traps-generative-design - The generative design for single red clood cell hydrodynamic traps using GEFEST framework
PrimaryBid - Transform application Lifecycle Data and Design and ETL pipeline architecture for ingesting data from multiple sources to redshift
Transform application Lifecycle Data and Design and ETL pipeline architecture for ingesting data from multiple sources to redshift This project is composed of two parts: Part1 and Part2
Course on computational design, non-linear optimization, and dynamics of soft systems at UIUC.
Computational Design and Dynamics of Soft Systems · This is a repository that contains the source code for generating the lecture notes, handouts, exe
Aircraft design optimization made fast through modern automatic differentiation
Aircraft design optimization made fast through modern automatic differentiation. Plug-and-play analysis tools for aerodynamics, propulsion, structures, trajectory design, and much more.
RFDesign - Protein hallucination and inpainting with RoseTTAFold
RFDesign: Protein hallucination and inpainting with RoseTTAFold Jue Wang (juewan
💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)
A 3D Generative Model for Structure-Based Drug Design Coming soon... Citation @inproceedings{luo2021sbdd, title={A 3D Generative Model for Structu
To Design and Implement Logistic Regression to Classify Between Benign and Malignant Cancer Types
To Design and Implement Logistic Regression to Classify Between Benign and Malignant Cancer Types, from a Database Taken From Dr. Wolberg reports his Clinic Cases.
The GUI application by Python3.8. Using QT Design draw UI and generator UI XML file provides to PySide2 build GUI components
The GUI application by Python3.8. Using QT Design draw UI and generator UI XML file provides to PySide2 build GUI components. Total adopt OOD design class, service, and abstract class. OOP implemented this project.
To design and implement the Identification of Iris Flower species using machine learning using Python and the tool Scikit-Learn.
To design and implement the Identification of Iris Flower species using machine learning using Python and the tool Scikit-Learn.
Python bindings for Basler's VisualApplets TCL script generation
About visualapplets.py The Basler AG company provides a TCL scripting engine to automatize the creation of VisualApplets designs (a former Silicon Sof
Design-by-contract in Python3 with informative violation messages and inheritance
icontract icontract provides design-by-contract to Python3 with informative violation messages and inheritance. It also gives a base for a flourishing
This is a passport scanning web service to help you scan, identify and validate your passport created with a simple and flexible design and ready to be integrated right into your system!
Passport-Recogniton-System This is a passport scanning web service to help you scan, identify and validate your passport created with a simple and fle
Benchmarks for Model-Based Optimization
Design-Bench Design-Bench is a benchmarking framework for solving automatic design problems that involve choosing an input that maximizes a black-box
Ml-design-patterns - Source code accompanying O'Reilly book: Machine Learning Design Patterns
This is not an official Google product ml-design-patterns Source code accompanying O'Reilly book: Title: Machine Learning Design Patterns Authors: Val
Yoloxkeypointsegment - An anchor-free version of YOLO, with a simpler design but better performance
Introduction 关键点版本:已完成 全景分割版本:已完成 实例分割版本:已完成 YOLOX is an anchor-free version of
A wrapper around the python Tkinter library for customizable and modern ui-elements in Tkinter
CustomTkinter With CustomTkinter you can create modern looking user interfaces in python with tkinter. CustomTkinter is a tkinter extension which prov
A fast Protein Chain / Ligand Extractor and organizer.
Are you tired of using visualization software, or full blown suites just to separate protein chains / ligands ? Are you tired of organizing the mess o
A simple electrical network analyzer, BASED ON computer-aided design.
Electrical Network Analyzer A simple electrical network analyzer. Given the oriented graph of the electrical network (circut), BASED ON computer-aided
This program analyzes a DNA sequence and outputs snippets of DNA that are likely to be protein-coding genes.
This program analyzes a DNA sequence and outputs snippets of DNA that are likely to be protein-coding genes.
Simple and Robust Loss Design for Multi-Label Learning with Missing Labels
Simple and Robust Loss Design for Multi-Label Learning with Missing Labels Official PyTorch Implementation of the paper Simple and Robust Loss Design
Design by contract for Python. Write bug-free code. Add a few decorators, get static analysis and tests for free.
A Python library for design by contract (DbC) and checking values, exceptions, and side-effects. In a nutshell, deal empowers you to write bug-free co
Flask Boilerplate - Paper Kit Design | AppSeed
Flask Paper Kit Open-Source Web App coded in Flask Framework - Provided by AppSeed Web App Generator. App Features: SQLite database SQLAlchemy ORM Ses
objectfactory is a python package to easily implement the factory design pattern for object creation, serialization, and polymorphism
py-object-factory objectfactory is a python package to easily implement the factory design pattern for object creation, serialization, and polymorphis
Simple alternative to Doodle polls and scheduling (Python 3, Django 3, JavaScript)
What is jawanndenn? jawanndenn is a simple web application to schedule meetings and run polls, a libre alternative to Doodle. It is using the followin
Infrastructure template and Jupyter notebooks for running RoseTTAFold on AWS Batch.
AWS RoseTTAFold Infrastructure template and Jupyter notebooks for running RoseTTAFold on AWS Batch. Overview Proteins are large biomolecules that play
Simple yet powerful CAD (Computer Aided Design) library, written with Python.
Py-MADCAD it's time to throw parametric softwares out ! Simple yet powerful CAD (Computer Aided Design) library, written with Python. Installation
Flask Boilerplate - Material Kit Design | AppSeed
Flask Boilerplate - Material Kit Design | AppSeed
Django Boilerplate - Material Kit Design | AppSeed
Django Boilerplate - Material Kit Design | AppSeed
Minimal authorization through OO design and pure Ruby classes
Pundit Pundit provides a set of helpers which guide you in leveraging regular Ruby classes and object oriented design patterns to build a simple, robu
HairCLIP: Design Your Hair by Text and Reference Image
Overview This repository hosts the official PyTorch implementation of the paper: "HairCLIP: Design Your Hair by Text and Reference Image". Our single
Uni-Fold: Training your own deep protein-folding models.
Uni-Fold: Training your own deep protein-folding models. This package provides and implementation of a trainable, Transformer-based deep protein foldi
State-of-the-art NLP through transformer models in a modular design and consistent APIs.
Trapper (Transformers wRAPPER) Trapper is an NLP library that aims to make it easier to train transformer based models on downstream tasks. It wraps h
Systemic Evolutionary Chemical Space Exploration for Drug Discovery
SECSE SECSE: Systemic Evolutionary Chemical Space Explorer Chemical space exploration is a major task of the hit-finding process during the pursuit of
RID-Noise: Towards Robust Inverse Design under Noisy Environments
This is code of RID-Noise. Reproduce RID-Noise Results Toy tasks Please refer to the notebook ridnoise.ipynb to view experiments on three toy tasks. B
Unofficial implementation of "Coordinate Attention for Efficient Mobile Network Design"
Unofficial implementation of "Coordinate Attention for Efficient Mobile Network Design". CoordAttention tensorflow slim
Uni-Fold: Training your own deep protein-folding models
Uni-Fold: Training your own deep protein-folding models. This package provides an implementation of a trainable, Transformer-based deep protein foldin
A design of MIDI language for music generation task, specifically for Natural Language Processing (NLP) models.
MIDI Language Introduction Reference Paper: Pop Music Transformer: Beat-based Modeling and Generation of Expressive Pop Piano Compositions: code This
Decoding the Protein-ligand Interactions Using Parallel Graph Neural Networks
Decoding the Protein-ligand Interactions Using Parallel Graph Neural Networks Requirements python 0.10+ rdkit 2020.03.3.0 biopython 1.78 openbabel 2.4
Explicable Reward Design for Reinforcement Learning Agents [NeurIPS'21]
Explicable Reward Design for Reinforcement Learning Agents [NeurIPS'21]
The official colors of the FAU as matplotlib/seaborn colormaps
FAU - Colors The official colors of Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU) as matplotlib / seaborn colormaps. We support the old colo
Testability-Aware Low Power Controller Design with Evolutionary Learning, ITC2021
Testability-Aware Low Power Controller Design with Evolutionary Learning This repo contains the source code of Testability-Aware Low Power Controller
Problem statements on System Design and Software Architecture as part of Arpit's System Design Masterclass
Problem statements on System Design and Software Architecture as part of Arpit's System Design Masterclass
Image Tooᥣs Bot I specialize for logo design Services with Amazing logo Creator Platform and more tools
Image Tooᥣs Bot I specialize for logo design Services with Amazing logo Creator Platform and more tools
A Protein-RNA Interface Predictor Based on Semantics of Sequences
PRIP PRIP:A Protein-RNA Interface Predictor Based on Semantics of Sequences installation gensim==3.8.3 matplotlib==3.1.3 xgboost==1.3.3 prettytable==2
A package to predict protein inter-residue geometries from sequence data
trRosetta This package is a part of trRosetta protein structure prediction protocol developed in: Improved protein structure prediction using predicte
Design and build a wrapper for the Open Weather API current weather data service
Design and build a wrapper for the Open Weather API current weather data service that returns a city's temperature, with caching, also allowing for the temperature of the latest queried cities that are still validly cached to be retrieved.
Leveraging Unique CPS Properties to Design Better Privacy-Enhancing Algorithms
Differential_Privacy_CPS Python implementation of the research paper Leveraging Unique CPS Properties to Design Better Privacy-Enhancing Algorithms Re
Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集
English | 简体中文 Latest News 2021.10.25 Paper "Docking-based Virtual Screening with Multi-Task Learning" is accepted by BIBM 2021. 2021.07.29 PaddleHeli
Cooperative multi-agent reinforcement learning for high-dimensional nonequilibrium control
Cooperative multi-agent reinforcement learning for high-dimensional nonequilibrium control Official implementation of: Cooperative multi-agent reinfor
Software Design | Spring 2020 | Classic Arcade Game
Breakout Software Design Final Project, Spring 2020 Team members: Izumi, Lilo For our Interactive Visualization, we implemented the classic arcade gam
gdsfactory is an EDA (electronics design automation) tool to Layout Integrated Circuits.
gdsfactory 3.5.5 gdsfactory is an EDA (electronics design automation) tool to Layout Integrated Circuits. It is build on top of phidl gdspy and klayou
JLC2KICAD_lib is a python script that generate a component library for KiCad from the JLCPCB/easyEDA library.
JLC2KiCad_lib is a python script that generate a component library (schematic, footprint and 3D model) for KiCad from the JLCPCB/easyEDA library. This script requires Python 3.6 or higher.
Readings for "A Unified View of Relational Deep Learning for Polypharmacy Side Effect, Combination Therapy, and Drug-Drug Interaction Prediction."
Polypharmacy - DDI - Synergy Survey The Survey Paper This repository accompanies our survey paper A Unified View of Relational Deep Learning for Polyp
System Design Assignments as part of Arpit's System Design Masterclass
System Design Assignments The repository contains a set of problem statements around Software Architecture and System Design as conducted by Arpit's S
A GUI-based (PyQt5) tool used to design 2D linkage mechanism.
Pyslvs-UI A GUI-based (PyQt5) tool used to design 2D linkage mechanism. Planar Linkages Simulation Python-Solvespace: Kernel from Solvespace with Cyth
Web app for spotify playlist management with last.fm integration
Music Tools Set of utility tools for Spotify and Last.fm. Built on my other libraries for Spotify (spotframework), Last.fm (fmframework) and interfaci
This package is a python library with tools for the Molecular Simulation - Software Gromos.
This package is a python library with tools for the Molecular Simulation - Software Gromos. It allows you to easily set up, manage and analyze simulations in python.
orfipy is a tool written in python/cython to extract ORFs in an extremely and fast and flexible manner
Introduction orfipy is a tool written in python/cython to extract ORFs in an extremely and fast and flexible manner. Other popular ORF searching tools
Youtube Downloader GUI
Python Youtube Downloader GUI This is a GUI application that allows you to download videos from Youtube. Features Download videos from Youtube in MP3
Styled text-to-drawing synthesis method. Featured at the 2021 NeurIPS Workshop on Machine Learning for Creativity and Design
Styled text-to-drawing synthesis method. Featured at the 2021 NeurIPS Workshop on Machine Learning for Creativity and Design
Autonomous Ground Vehicle Navigation and Control Simulation Examples in Python
Autonomous Ground Vehicle Navigation and Control Simulation Examples in Python THIS PROJECT IS CURRENTLY A WORK IN PROGRESS AND THUS THIS REPOSITORY I
Bioinformatics tool for exploring RNA-Protein interactions
Explore RNA-Protein interactions. RNPFind is a bioinformatics tool. It takes an RNA transcript as input and gives a list of RNA binding protein (RBP)
Readings for "A Unified View of Relational Deep Learning for Polypharmacy Side Effect, Combination Therapy, and Drug-Drug Interaction Prediction."
Polypharmacy - DDI - Synergy Survey The Survey Paper This repository accompanies our survey paper A Unified View of Relational Deep Learning for Polyp
Implicit Deep Adaptive Design (iDAD)
Implicit Deep Adaptive Design (iDAD) This code supports the NeurIPS paper 'Implicit Deep Adaptive Design: Policy-Based Experimental Design without Lik
Discord Multi Tool that focuses on design and easy usage
Multi-Tool-v1.0 Discord Multi Tool that focuses on design and easy usage Delete webhook Block all friends Spam webhook Modify webhook Webhook info Tok
Deep generative models of 3D grids for structure-based drug discovery
What is liGAN? liGAN is a research codebase for training and evaluating deep generative models for de novo drug design based on 3D atomic density grid
A booklet on machine learning systems design with exercises
Machine Learning Systems Design Read this booklet here. This booklet covers four main steps of designing a machine learning system: Project setup Data