Python Drug-discovery Resources

Description Killing features Perform a large-scale scans using Nmap! Allows you to use Masscan to scan targets and execute Nmap on detected ports with

🔥 DrugOOD 🔥 : OOD Dataset Curator and Benchmark for AI Aided Drug Discovery This is the official implementation of the DrugOOD project, this is the

Molecular Docking integrated in Jupyter Notebooks Description | Citation | Installation | Examples | Limitations | License Table of content Descriptio

Drug Interaction Prediction with Tigerlily Documentation | Example Notebook | Youtube Video | Project Report Tigerlily is a TigerGraph based system de

(CVPR 2022) TokenCut Pytorch implementation of Tokencut: Self-supervised Transformers for Unsupervised Object Discovery using Normalized Cut Yangtao W

RedTeam Toolkit Note: Only legal activities should be conducted with this project. Red Team Toolkit is an Open-Source Django Offensive Web-App contain

CPDeform Code and data for paper Contact Points Discovery for Soft-Body Manipulations with Differentiable Physics at ICLR 2022 (Spotlight). @InProceed

Description Simple python module (unofficial) allowing you to access data from rapiddns.io. You can also use it as a module. As mentioned on the rapid

Improving evidential deep learning via multi task learning It is a repository of AAAI2022 paper, “Improving evidential deep learning via multi-task le

EmailAll A powerful Email Collect tool 0x1 介绍 😲 EmailAll is a powerful Email Co

FAVD: Featherweight Assisted Vulnerability Discovery This repository contains the replication package for the paper "Featherweight Assisted Vulnerabil

EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein

Large-Scale Unsupervised Object Discovery Huy V. Vo, Elena Sizikova, Cordelia Schmid, Patrick Pérez, Jean Ponce [PDF] We propose a novel ranking-based

TopClus The source code used for Topic Discovery via Latent Space Clustering of Pretrained Language Model Representations, published in WWW 2022. Requ

GeneDisco is a benchmark suite for evaluating active learning algorithms for experimental design in drug discovery.

The GT4SD (Generative Toolkit for Scientific Discovery) is an open-source platform to accelerate hypothesis generation in the scientific discovery process. It provides a library for making state-of-the-art generative AI models easier to use.

NeuroGen: activation optimized image synthesis for discovery neuroscience NeuroGen is a framework for synthesizing images that control brain activatio

Element selection for functional materials discovery by integrated machine learning of atomic contributions to properties 8.11.2021 Andrij Vasylenko I

Lipschitz-constrained Unsupervised Skill Discovery This repository is the official implementation of Seohong Park, Jongwook Choi*, Jaekyeom Kim*, Hong

Live Demo (currently not running, on it) Espial is an engine for automated organization and discovery in knowledge bases. It can be adapted to run wit

I have collected data about a set of patients, all of whom suffered from the same illness. During their course of treatment, each patient responded to one of 5 medications, Drug A, Drug B, Drug c, Drug x and y. Part of our job is to build a model to find out which drug might be appropriate for a future patient with the same illness. The feature sets of this dataset are Age, Sex, Blood Pressure, and Cholesterol of patients, and the target is the drug that each patient responded to.

Interpretable Control Exploration and Counterfactual Explanation (ICE) on StyleGAN Which Style Makes Me Attractive? Interpretable Control Discovery an

applied-ml Curated papers, articles, and blogs on data science & machine learning in production. ⚙️ Figuring out how to implement your ML project? Lea

STAC Catalog Discovery Simple STAC discovery tool. Just paste the STAC Catalog link and press Enter. Details STAC Discovery tool enables discovering d

Deep Learning for Human Part Discovery in Images - Chainer implementation NOTE: This is not official implementation. Original paper is Deep Learning f

Part Detector Discovery This is the code used in our paper "Part Detector Discovery in Deep Convolutional Neural Networks" by Marcel Simon, Erik Rodne

Manifoldron: Direct Space Partition via Manifold Discovery This respository includes implementations on Manifoldron: Direct Space Partition via Manifo

A 3D Generative Model for Structure-Based Drug Design Coming soon... Citation @inproceedings{luo2021sbdd, title={A 3D Generative Model for Structu

Generalized Category Discovery This repo is a placeholder for code for our paper: Generalized Category Discovery Abstract: In this paper, we consider

d o t m o t i f Find graph motifs using intuitive notation DotMotif is a library that identifies subgraphs or motifs in a large graph. It looks like t

This file contains the following documents sumbited for Baruch CIS9665 group 9 fall 2021. 1. Dataset: drug_reviews.csv 2. python codes for text classi

Natural Language Processing for Adverse Drug Reaction (ADR) Detection This repo contains code from a project to identify ADRs in discharge summaries a

Reaction Mechanism Generator (RMG) Description This repository contains the Python version of Reaction Mechanism Generator (RMG), a tool for automatic

Fully automatic light management based on motion as AppDaemon app. 🕓 multiple daytimes to define different scenes for morning, noon, ... 💡 supports

Discovery is an open-source Discord Bot with the main features Tickets, Moderation, Giveaways and Reaction roles.

NeoDTI NeoDTI: Neural integration of neighbor information from a heterogeneous network for discovering new drug-target interactions (Bioinformatics).

SAG-DTA The code is the implementation for the paper 'SAG-DTA: Prediction of Drug–Target Affinity Using Self-Attention Graph Network'. Requirements py

A python 3 library which helps in using nmap port scanner. This is done by converting each nmap command into a callable python3 method or function. System administrators can now automatic nmap scans using python

Aviary The aviary contains: - roost, - wren, cgcnn. The aim is to contain multiple models for materials discovery under a common interface Environment

Documentation | External Resources | Datasets | Examples ChemicalX is a deep learning library for drug-drug interaction, polypharmacy side effect and

WASP2 (Currently in pre-development): Allele-specific pipeline for unbiased read mapping(WIP), QTL discovery(WIP), and allelic-imbalance analysis Requ

Automated Testing for Lightning EcoSystem Projects Automate issue discovery for your projects against Lightning nightly and releases. You get CPUs, Mu

SECSE SECSE: Systemic Evolutionary Chemical Space Explorer Chemical space exploration is a major task of the hit-finding process during the pursuit of

LitMatter A template for rapid experimentation and scaling deep learning models on molecular and crystal graphs. How to use Clone this repository and

This folder contains the code for 'Scalable Variational Approaches for Bayesian Causal Discovery'. Installation To install, use conda with conda env c

A deep learning model for data-driven discovery of functional connectivity https://doi.org/10.3390/a14030075 Usman Mahmood, Zengin Fu, Vince D. Calhou

Steerable discovery of neural audio effects Christian J. Steinmetz and Joshua D. Reiss Abstract Applications of deep learning for audio effects often

python-zeroconf Documentation. This is fork of pyzeroconf, Multicast DNS Service Discovery for Python, originally by Paul Scott-Murphy (https://github

MatrixProfile MatrixProfile is a Python 3 library, brought to you by the Matrix Profile Foundation, for mining time series data. The Matrix Profile is

Molecular Sets (MOSES): A benchmarking platform for molecular generation models Deep generative models are rapidly becoming popular for the discovery

CoaDTI Multi-modal co-attention for drug-target interaction annotation and Its Application to SARS-CoV-2 Abstract Environment The test was conducted i

insilico: A Python package to process & model ChEMBL data. ChEMBL is a manually curated chemical database of bioactive molecules with drug-like proper

AI-powered literature discovery and review engine for medical/scientific papers paperai is an AI-powered literature discovery and review engine for me

Tiny Obstacle Discovery by Occlusion-aware Multilayer Regression Official Matlab Implementation for "Tiny Obstacle Discovery by Occlusion-aware Multil

GENDIS GENetic DIscovery of Shapelets In the time series classification domain, shapelets are small subseries that are discriminative for a certain cl

self-supervised-landmarks Repository for self-supervised landmark discovery Requirements pytorch pynrrd (for 3d images) Usage The use of this models i

causal-learn: Causal Discovery for Python Causal-learn is a python package for causal discovery that implements both classical and state-of-the-art ca

Polypharmacy - DDI - Synergy Survey The Survey Paper This repository accompanies our survey paper A Unified View of Relational Deep Learning for Polyp

Subdah 🔎 another subdomains scanner. Installation ⚠️ Python 3.10 required ⚠️ $ git clone https://github.com/traumatism/subdah $ cd subdah $ pip3 inst

From "Onion Not Found" to Guard Discovery (PETS'22) This repository holds the code and data for our PETS'22 paper titled 'From "Onion Not Found" to Gu

Drug Discovery App A Drug Discovery App Using Lipinski's Rule-of-Five. TAPIWA CHAMBOKO 🚀 About Me I'm a full stack developer experienced in deploying

Polypharmacy - DDI - Synergy Survey The Survey Paper This repository accompanies our survey paper A Unified View of Relational Deep Learning for Polyp

Visualization Data Drug in thailand during 2014 to 2020 Data sorce from ข้อมูลเปิดภาครัฐ สำนักงาน ป.ป.ส Inttroducing program Using tkinter module for

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

ec2-bastion-sshconfig This script will interate over instances found by ec2.py and if those instances are not publically accessible it will search the

signed-area-causal-inference This repository contains code demonstrating the methods outlined in Path Signature Area-Based Causal Discovery in Coupled

SegSwap Pytorch implementation of paper "Learning Co-segmentation by Segment Swapping for Retrieval and Discovery" [PDF] [Project page] If our project

Using Clinical Drug Representations for Improving Mortality and Length of Stay Predictions Usage Clone the code to local. https://github.com/tanlab/MI

PyChemia, Python Framework for Materials Discovery and Design PyChemia is an open-source Python Library for materials structural search. The purpose o

CPC_DeepCluster This is the implementation of "SELF SUPERVISED REPRESENTATION LEARNING WITH DEEP CLUSTERING FOR ACOUSTIC UNIT DISCOVERY FROM RAW SPEEC

PiSL A python implementation of Physics-informed Spline Learning for nonlinear dynamics discovery. Sun, F., Liu, Y. and Sun, H., 2021. Physics-informe

LOST Pytorch implementation of the unsupervised object discovery method LOST. More details can be found in the paper: Localizing Objects with Self-Sup

Please star this project! Written in Python Report Bug . Request Feature DISCLAIMER This project is in its early days, everything you see here is almo

Introduction This repository hosts a sample application that demonstrates integrating Firmalyzer's IoTVAS API with the Rapid7 InsightVM platform. This

grungegirl. cli-based drug search for girls. welcome. grungegirl is aiming to be the premier drug culture application. it is the hacker's encyclopedia

👑 Discovery Header DoD Bug-Bounty Did you know that DoD accepts server headers? 😲 (example: apache"version" , php"version") ? In this code it is pos

A Unified Objective for Novel Class Discovery This is the official repository for the paper: A Unified Objective for Novel Class Discovery Enrico Fini

A powerful and flexible machine learning platform for drug discovery

-Nyokong. Drug design and development team HackBio internship is a virtual bioinformatics program that introduces students and professional to advance

A central task in drug discovery is searching, screening, and organizing large chemical databases. Here, we implement clustering on molecular similarity. We support multiple methods to provide a interactive exploration of chemical space.

Evidential Deep Learning for Guided Molecular Property Prediction and Discovery Ava Soleimany*, Alexander Amini*, Samuel Goldman*, Daniela Rus, Sangee

The tool helps to find hidden parameters that can be vulnerable or can reveal interesting functionality that other hunters miss. Greater accuracy is achieved thanks to the line-by-line comparison of pages, comparison of response code and reflections.

Unsupervised Discovery of Object Radiance Fields by Hong-Xing Yu, Leonidas J. Guibas and Jiajun Wu from Stanford University. arXiv link: https://arxiv

Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molecular Dynamics This work will be published in Nature Biomedical

Monitor the status of computers on a network using the DDS function of ROS2.

DeepCDR Cancer Drug Response Prediction via a Hybrid Graph Convolutional Network This work has been accepted to ECCB2020 and was also published in the

Neighborhood Contrastive Learning for Novel Class Discovery This repository contains the official implementation of our paper: Neighborhood Contrastiv

KeypointDeformer: Unsupervised 3D Keypoint Discovery for Shape Control Tomas Jakab, Richard Tucker, Ameesh Makadia, Jiajun Wu, Noah Snavely, Angjoo Ka

SumGNN: Multi-typed Drug Interaction Prediction via Efficient Knowledge Graph Summarization This is the code for our paper ``SumGNN: Multi-typed Drug

TraND This is the code for the paper "Jinkai Zheng, Xinchen Liu, Chenggang Yan, Jiyong Zhang, Wu Liu, Xiaoping Zhang and Tao Mei: TraND: Transferable

Amundsen is a metadata driven application for improving the productivity of data analysts, data scientists and engineers when interacting with data.

** DEPRECATED ** This repo has been deprecated. Please visit Megatron-LM for our up to date Large-scale unsupervised pretraining and finetuning code.

Datamol is a python library to work with molecules. It's a layer built on top of RDKit and aims to be as light as possible.

Structural basis for solubility in protein expression systems Large-scale protein production for biotechnology and biopharmaceutical applications rely

Datamol is a python library to work with molecules. It's a layer built on top of RDKit and aims to be as light as possible.

Tribler Towards making Bittorrent anonymous and impossible to shut down. We use our own dedicated Tor-like network for anonymous torrent downloading.

matrixprofile-ts matrixprofile-ts is a Python 2 and 3 library for evaluating time series data using the Matrix Profile algorithms developed by the Keo

STUMPY STUMPY is a powerful and scalable library that efficiently computes something called the matrix profile, which can be used for a variety of tim

Summit Summit is a set of tools for optimising chemical processes. We’ve started by targeting reactions. What is Summit? Currently, reaction optimisat

A PyTorch implementation of "Pathfinder Discovery Networks for Neural Message Passing" (WebConf 2021). Abstract In this work we propose Pathfind