Search Results - RepositoryStats

88

722

apache-2.0

22

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

drug torch pharma smiles biology pytorch geometry chemistry drug-pair torchdrug polypharmacy deep-learning deep-chemistry drug-discovery smiles-strings drug-interaction machine-learning graph-neural-network geometric-deep-learning

Created 2021-12-06

318 commits to main branch, last one about a year ago

55

187

mit

4

A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at AstraZeneca.

molecules autoencoders denovo-design drug-discovery neural-network smiles-strings lstm-neural-networks

Created 2019-05-29

78 commits to master branch, last one 3 years ago

21

151

apache-2.0

4

A lightweight python-only library for reading and writing SMILES strings

python smiles hacktoberfest smiles-strings writing-smiles cheminformatics

Created 2018-04-05

233 commits to master branch, last one 18 days ago

5

58

mit

2

The official codebase of the paper "Chemical language modeling with structured state space sequence models"

s4 chemistry deep-learning smiles-strings cheminformatics state-space-models de-novo-drug-design chemical-language-models

Created 2023-09-21

17 commits to main branch, last one 4 months ago