multi_channels_PINN by mhlee0903

None

updated at Aug. 25, 2023, 8:38 a.m.

0 +0

3 +0

3 +0

NeoDTI by FangpingWan

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

updated at March 19, 2024, 1:57 a.m.

5 +0

72 +0

33 +0

cdk by cdk

The Chemistry Development Kit

updated at May 12, 2024, 3:24 p.m.

41 +0

469 +0

153 +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

updated at May 13, 2024, 2:23 a.m.

2 +0

129 +0

40 +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.

updated at May 21, 2024, 4:21 p.m.

8 +0

365 +1

60 +0

DRKG by gnn4dr

A knowledge graph and a set of tools for drug repurposing

updated at May 22, 2024, 9:04 p.m.

26 +0

559 +2

154 +0

DeepPurpose by kexinhuang12345

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

updated at May 24, 2024, 7:13 a.m.

31 +0

927 +3

264 +1

BioGPT by Microsoft

None

updated at May 25, 2024, 2:42 p.m.

70 +0

4,242 +6

436 +3

esm by facebookresearch

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

updated at May 26, 2024, 7:58 a.m.

63 +0

2,896 +20

569 +5

rdkit by rdkit

The official sources for the RDKit library

updated at May 26, 2024, 7:48 p.m.

83 +0

2,462 +10

843 +1