rdkit by rdkit

The official sources for the RDKit library

created at May 12, 2013, 6:19 a.m.

82 +0

2,440 +12

839 +2

BioGPT by Microsoft

None

created at Aug. 15, 2022, 5:55 a.m.

70 +0

4,233 +0

435 +0

esm by facebookresearch

Evolutionary Scale Modeling (esm): Pretrained language models for proteins

created at Aug. 31, 2020, 5:41 p.m.

63 +2

2,860 +20

563 +4

cdk by cdk

The Chemistry Development Kit

created at May 11, 2010, 8:30 a.m.

41 +0

468 +0

153 +0

DeepPurpose by kexinhuang12345

A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)

created at March 19, 2020, 12:32 a.m.

30 +0

918 +2

263 +0

DRKG by gnn4dr

A knowledge graph and a set of tools for drug repurposing

created at April 9, 2020, 5:21 a.m.

26 +0

554 +5

153 +0

bert-loves-chemistry by seyonechithrananda

bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.

created at April 1, 2020, 11:39 p.m.

8 +0

363 +4

59 +1

NeoDTI by FangpingWan

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

created at March 26, 2018, 1:56 a.m.

5 +0

72 +0

33 +0

transformerCPI by lifanchen-simm

TransformerCPI: Improving compound–protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments(BIOINFORMATICS 2020) https://doi.org/10.1093/bioinformatics/btaa524

created at March 6, 2020, 12:59 p.m.

2 +0

128 +0

40 +0

multi_channels_PINN by mhlee0903

None

created at Oct. 1, 2018, 11:25 a.m.

0 +0

3 +0

3 +0