Python Molecular-property-prediction Resources

Non-Autoregressive Translation with Layer-Wise Prediction and Deep Supervision Training Efficiency We show the training efficiency of our DSLP model b

Companion code for "Bayesian logistic regression for online recalibration and revision of risk prediction models with performance guarantees" Installa

Variational Graph Auto-encoder in Pytorch This repository implements variational graph auto-encoder by Thomas Kipf. For details of the model, refer to

Motif-based Graph Self-Supervised Learning for Molecular Property Prediction Official Pytorch implementation of NeurIPS'21 paper "Motif-based Graph Se

Bangalore-House-Price-Prediction An end-to-end regression problem of predicting the price of properties in Bangalore. Deployed in Heroku using Flask.

Relation Prediction as an Auxiliary Training Objective for Knowledge Base Completion This repo provides the code for the paper Relation Prediction as

3D-Transformer: Molecular Representation with Transformer in 3D Space

Telco Customer Churn Prediction - Plotly Dash Application Description This dash application allows you to predict telco customer churn using machine l

Adaptive Task-Relational Context (ATRC) This repository provides source code for the ICCV 2021 paper Exploring Relational Context for Multi-Task Dense

VectorNet Re-implementation This is the unofficial pytorch implementation of CVPR2020 paper "VectorNet: Encoding HD Maps and Agent Dynamics from Vecto

RealTime Sign Language Detection using Action Recognition Approach Real-Time Sign Language is commonly predicted using models whose architecture consi

Table of Contents: Introduction to Torch's Tensor Library Computation Graphs and Automatic Differentiation Deep Learning Building Blocks: Affine maps,

This is a fork of Fairseq(-py) with implementations of the following models: Pervasive Attention - 2D Convolutional Neural Networks for Sequence-to-Se

Implementation of Deep-Forecast using PyTorch Deep Forecast: Deep Learning-based Spatio-Temporal Forecasting Adapted from original implementation Setu

FaPN: Feature-aligned Pyramid Network for Dense Image Prediction [arXiv] [Project Page] @inproceedings{ huang2021fapn, title={{FaPN}: Feature-alig

Compositionally Generalizable 3D Structure Prediction In this work, We bring in the concept of compositional generalizability and factorizes the 3D sh

MVGCN MVGCN: a novel multi-view graph convolutional network (MVGCN) framework for link prediction in biomedical bipartite networks. Developer: Fu Hait

Automatic Differentiation Multipole Moment Molecular Forcefield Performance notes On a single gpu, using waterbox_31ang.pdb example from MPIDplugin wh

The code for our paper "NSP-BERT: A Prompt-based Zero-Shot Learner Through an Original Pre-training Task —— Next Sentence Prediction"

Riiid Answer Correctness Prediction Introduction This repository is the code that placed 78th in Riiid Answer Correctness Prediction competition. Requ

AutoLay AutoLay: Benchmarking Monocular Layout Estimation Kaustubh Mani, N. Sai Shankar, J. Krishna Murthy, and K. Madhava Krishna Abstract In this pa

MolEncoder Molecular AutoEncoder in PyTorch Install $ git clone https://github.com/cxhernandez/molencoder.git && cd molencoder $ python setup.py insta

Rotate-Yolov5 This repository is based on Ultralytics/yolov5, with adjustments to enable rotate prediction boxes. Section I. Description The codes are

Torch-RGCN Torch-RGCN is a PyTorch implementation of the RGCN, originally proposed by Schlichtkrull et al. in Modeling Relational Data with Graph Conv

High-Resolution Transformer for Dense Prediction Introduction This is the official implementation of High-Resolution Transformer (HRT). We present a H

It is expected to develop a machine learning model that can predict customers who will leave the company.

An Effective Loss Function for Generating 3D Models from Single 2D Image without Rendering Papers with code | Paper Nikola Zubić Pietro Lio University

Note: This is an alpha (preview) version which is still under refining. nn-Meter is a novel and efficient system to accurately predict the inference l

ColorPaster [Blender Addon] Convert three types of color in your clipboard and paste it to the color property (gamma correct) How to Use Hover your mo

Paint Transformer: Feed Forward Neural Painting with Stroke Prediction [Paper] [PaddlePaddle Implementation] Homepage of paper: Paint Transformer: Fee

VideoBERT This repo reproduces the results of VideoBERT (https://arxiv.org/pdf/1904.01766.pdf). Inspiration was taken from https://github.com/MDSKUL/M

DockStream Description DockStream is a docking wrapper providing access to a collection of ligand embedders and docking backends. Docking execution an

How to Become More Salient? Surfacing Representation Biases of the Saliency Prediction Model

JANUS: Parallel Tempered Genetic Algorithm Guided by Deep Neural Networks for Inverse Molecular Design This repository contains code for the paper: JA

Panoptic Segmentation Forecasting Colin Graber, Grace Tsai, Michael Firman, Gabriel Brostow, Alexander Schwing - CVPR 2021 [Link to paper] We propose

Vision Transformers for Dense Prediction This repository contains code and models for our paper: Vision Transformers for Dense Prediction René Ranftl,

Trajectory Prediction using Equivariant Continuous Convolution (ECCO) This is the codebase for the ICLR 2021 paper Trajectory Prediction using Equivar

Inductive entity representations from text via link prediction This repository contains the code used for the experiments in the paper "Inductive enti

ParallelFold Author: Bozitao Zhong This is a modified version of DeepMind's Alphafold2 to divide CPU part (MSA and template searching) and GPU part (p

Implementation of Deep-Forecast using PyTorch Deep Forecast: Deep Learning-based Spatio-Temporal Forecasting Adapted from original implementation Setu

Visual-Interaction-Networks An implementation of Deepmind visual interaction networks in Pytorch. Introduction For the purpose of understanding the ch

LogDeep is an open source deeplearning-based log analysis toolkit for automated anomaly detection.

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

A MLP-like Architecture for Dense Prediction (arXiv) Updates (22/07/2021) Initial release. Model Zoo We provide CycleMLP models pretrained on ImageNet

This is a fork of Fairseq(-py) with implementations of the following models: Pervasive Attention - 2D Convolutional Neural Networks for Sequence-to-Se

Clockwork VAEs in JAX/Flax Implementation of experiments in the paper Clockwork Variational Autoencoders (project website) using JAX and Flax, ported

You Don't Need a Bigger Boat An end-to-end (Metaflow-based) implementation of an intent prediction flow for kids who can't MLOps good and wanna learn

Pytorch-MBNet A pytorch implementation of MBNET: MOS PREDICTION FOR SYNTHESIZED SPEECH WITH MEAN-BIAS NETWORK Training To train a new model, please ru

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

Using python and scikit-learn to make stock predictions

Squidpy is a tool for the analysis and visualization of spatial molecular data. It builds on top of scanpy and anndata, from which it inherits modularity and scalability. It provides analysis tools that leverages the spatial coordinates of the data, as well as tissue images if available.

PyKEEN PyKEEN (Python KnowlEdge EmbeddiNgs) is a Python package designed to train and evaluate knowledge graph embedding models (incorporating multi-m

A selection of State Of The Art research papers (and code) on human trajectory prediction (forecasting). Papers marked with [W] are workshop papers.

Beyond Image to Depth: Improving Depth Prediction using Echoes (CVPR 2021) Kranti Kumar Parida, Siddharth Srivastava, Gaurav Sharma. We address the pr

Polygon-Yolov5 This repository is based on Ultralytics/yolov5, with adjustments to enable polygon prediction boxes. Section I. Description The codes a

Part of the 9th place solution for the Bristol-Myers Squibb – Molecular Translation challenge translating images containing chemical structures into I

pure-predict speeds up and slims down machine learning prediction applications. It is a foundational tool for serverless inference or small batch prediction with popular machine learning frameworks like scikit-learn and fasttext. It implements the predict methods of these frameworks in pure Python.

A ready-to-use framework of latest models for structured (tabular) data learning with PyTorch. Applications include recommendation, CRT prediction, healthcare analytics, and etc.

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

FitVid Video Prediction Model Implementation of FitVid video prediction model in JAX/Flax. If you find this code useful, please cite it in your paper:

Stox ⚡ A Python Module For The Stock Market ⚡ A Module to predict the "close price" for the next day and give "technical analysis". It uses a Neural N

LibTraffic is a unified, flexible and comprehensive traffic prediction library, which provides researchers with a credibly experimental tool and a convenient development framework. Our library is implemented based on PyTorch, and includes all the necessary steps or components related to traffic prediction into a systematic pipeline.

[PDF] | [Slides] The official implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021 Long talk) Installation Inst

MolRep: A Deep Representation Learning Library for Molecular Property Prediction Summary MolRep is a Python package for fairly measuring algorithmic p

Waymo motion prediction challenge 2021: 3rd place solution 📜 Technical report 🗨️ Presentation 🎉 Announcement 🛆Motion Prediction Channel Website 🛆

This is a release of our VIMPAC paper to illustrate the implementations. The pretrained checkpoints and scripts will be soon open-sourced in HuggingFace transformers.

One2Set This repository contains the code for our ACL 2021 paper “One2Set: Generating Diverse Keyphrases as a Set”. Our implementation is built on the

The MDAkit for membrane curvature analysis is part of the Google Summer of Code program and it is linked to a Code of Conduct.

Markup is an online annotation tool that can be used to transform unstructured documents into structured formats for NLP and ML tasks, such as named-entity recognition. Markup learns as you annotate in order to predict and suggest complex annotations. Markup also provides integrated access to existing and custom ontologies, enabling the prediction and suggestion of ontology mappings based on the text you're annotating.

We envision models that are pre-trained on a vast range of domain-relevant tasks to become key for molecule property prediction. This repository aims to give easy access to state-of-the-art pre-trained models.

BMS-Molecular-Translation Introduction This is a pipeline for Bristol-Myers Squibb – Molecular Translation by Vadim Timakin and Maksim Zhdanov. We got

Habitat: A Runtime-Based Computational Performance Predictor for Deep Neural Network Training Habitat is a tool that predicts a deep neural network's

SpanNER: Named EntityRe-/Recognition as Span Prediction Overview | Demo | Installation | Preprocessing | Prepare Models | Running | System Combination

[TensorFlow] Protein Interface Prediction using Graph Convolutional Networks Unofficial TensorFlow implementation of Protein Interface Prediction usin

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

Stox A Module to predict the "close price" for the next day and give "technical analysis". It uses a Neural Network and the LSTM algorithm to predict

Use jsf along with fake data generators to provide consistent and meaningful fake data for your system.

TANL: Structured Prediction as Translation between Augmented Natural Languages Code for the paper "Structured Prediction as Translation between Augmen

Torch-Struct: Structured Prediction Library A library of tested, GPU implementations of core structured prediction algorithms for deep learning applic

SkipGNN: Predicting Molecular Interactions with Skip-Graph Networks Molecular interaction networks are powerful resources for the discovery. While dee

Combining Events and Frames using Recurrent Asynchronous Multimodal Networks for Monocular Depth Prediction This is the code for the paper Combining E

AdelaiDepth is an open source toolbox for monocular depth prediction.

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

|Anaconda|_ MAPIE - Model Agnostic Prediction Interval Estimator MAPIE allows you to easily estimate prediction intervals using your favourite sklearn

TalkNet 2 [WIP] TalkNet 2: Non-Autoregressive Depth-Wise Separable Convolutional Model for Speech Synthesis with Explicit Pitch and Duration Predictio

Few-shot Graph Learning for Molecular Property Prediction Introduction This is the source code and dataset for the following paper: Few-shot Graph Lea

bulbea "Deep Learning based Python Library for Stock Market Prediction and Modelling." Table of Contents Installation Usage Documentation Dependencies

StockPredictions Use classic tricks, neural networks, deep learning, genetic programming and other methods to predict stock and market movements. Both

Stock Price Prediction of Apple Inc. Using Recurrent Neural Network OHLC Average Prediction of Apple Inc. Using LSTM Recurrent Neural Network Dataset:

IntroNeuralNetworks in Python: A Template Project IntroNeuralNetworks is a project that introduces neural networks and illustrates an example of how o

AIAlpha: Multilayer neural network architecture for stock return prediction This project is meant to be an advanced implementation of stacked neural n

MachineLearningStocks in python: a starter project and guide EDIT as of Feb 2021: MachineLearningStocks is no longer actively maintained MachineLearni

PredRNN: A Recurrent Neural Network for Spatiotemporal Predictive Learning The predictive learning of spatiotemporal sequences aims to generate future

Completer: Incomplete Multi-view Clustering via Contrastive Prediction This repo contains the code and data of the following paper accepted by CVPR 20

Joint Entity and Relation Extraction with Set Prediction Networks Source code for Joint Entity and Relation Extraction with Set Prediction Networks. W

Official PyTorch code for Transformers Solve Limited Receptive Field for Monocular Depth Prediction. Guanglei Yang, Hao Tang, Mingli Ding, Nicu Sebe,

scikit-multilearn scikit-multilearn is a Python module capable of performing multi-label learning tasks. It is built on-top of various scientific Pyth

DESlib DESlib is an easy-to-use ensemble learning library focused on the implementation of the state-of-the-art techniques for dynamic classifier and

Torch-Struct: Structured Prediction Library A library of tested, GPU implementations of core structured prediction algorithms for deep learning applic

GluonTS - Probabilistic Time Series Modeling in Python GluonTS is a Python toolkit for probabilistic time series modeling, built around Apache MXNet (