Implement a ChatGPT-like LLM in PyTorch from scratch, step by step

Data repository for seaborn examples

Associated Repository for "Translation between Molecules and Natural Language"

Source code for "A Deep-learning System Bridging Molecule Structure and Biomedical Text with Comprehension Comparable to Human Professionals"

Knowledge-enhanced learned representation enriches protein sequence and SMILES drug databases with a large Knowledge Graph fused from different sources. This improves results on TDC drug target bin…

A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)

SimCLRv2 - Big Self-Supervised Models are Strong Semi-Supervised Learners

Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyG.

Multi-view Graph Contrastive Representation Learning for Drug-drug Interaction Prediction

MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)

ATOM3D: tasks on molecules in three dimensions

PyGCL: A PyTorch Library for Graph Contrastive Learning

Protein Language Model

A powerful and flexible machine learning platform for drug discovery

Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集

[Bioinformatics 2021] This is the repo for the paper `SumGNN: Multi-typed Drug Interaction Prediction via Efficient Knowledge Graph Summarization'.

Open source code for AlphaFold 2.

This package contains deep learning models and related scripts for RoseTTAFold

A Deep Learning based Efficacy Prediction System for drug discovery

Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

Chemical Data Cartridge for Oracle using RDKit

Interactive plots with chemical structures

Code for the paper: ChemGAN challenge for drug discovery: can AI reproduce natural chemical diversity? arXiv preprint arXiv:1708.08227.

Drug-target binding affinity counterfactual generation

GraphDTA: Predicting drug-target binding affinity with graph neural networks

A simple tool to update bib entries with their official information (e.g., DBLP or the ACL anthology).