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mol_gpt

multi-bioner

Cross-type Biomedical Named Entity Recognition with Deep Multi-task Learning (Bioinformatics'19)

mv-backend2

nce-fixedligand

ngl

WebGL protein viewer

pepgan

pfeature

Computation of features of peptides and proteins

pocket2mol

Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets

protocolgromacs

Automatic gromacs protocol from preparation to production with ligand parametrization through

pymed

PyMed is a Python library that provides access to PubMed.

pymysql-pool

A simple but robust connection pool (with multiplexing) base on PyMySQL, mainly used for multi threads mode, which also compatible with single thread mode.

rdkit

The official sources for the RDKit library

reinvent

renet2

RENET2: High-Performance Full-text Gene-Disease Relation Extraction with Iterative Training Data Expansion

rl-graphinvent

RL-GraphINVENT is a platform for graph-based targeted molecular generation using graph neural networks and reinforcement learning. RL-GraphINVENT uses a Gated Graph Neural Network -based model fine-tuned using reinforcement learning to probabilistically generate new molecules with desired property profiles.

sentence-transformers

Multilingual Sentence & Image Embeddings with BERT

sfcnn

A scoring function model based on 3D convolutional neural network for protein-ligand binding affinity prediction.

stanza

Official Stanford NLP Python Library for Many Human Languages

structure_generation

torchdrug

A powerful and flexible machine learning platform for drug discovery

toxibtl2

Code for paper "ToxIBTL: prediction of peptide toxicity based on information bottleneck and transfer learning"