6 results found Sort:

CDDLeiden
DrugEx CDDLeiden
19
137
mit
3
De Novo Drug Design with RNNs and Transformers
deep-learning drug-discovery cheminformatics de-novo-drug-design reinforcement-learning
Created 2022-04-04
1,194 commits to master branch, last one 3 months ago
KeenThera
SECSE KeenThera
18
82
apache-2.0
3
Systemic Evolutionary Chemical Space Exploration for Drug Discovery
deep-learning de-novo-drug-design chemical-space-exploration fragment-based-drug-discovery
Created 2021-12-05
71 commits to master branch, last one 4 months ago
molML
s4-for-de-novo-drug-design molML
6
73
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 8 months ago
CDDLeiden
PCMol CDDLeiden
7
63
mit
6
Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.
alphafold drug-discovery cheminformatics proteochemometrics de-novo-drug-design protein-language-models chemical-language-models
Created 2024-01-23
47 commits to main branch, last one 4 days ago
JanoschMenke
metis JanoschMenke
12
48
mit
1
Python-based GUI to collect Feedback of Chemist in Molecules
generative-ai drug-discovery machine-learning human-in-the-loop de-novo-drug-design preference-learning
Created 2024-04-29
31 commits to main branch, last one 7 months ago
yataobian
awesome-DrugAI yataobian
6
35
mit
3
Research repo for AI aided drug discovery, de novo drug development and related topics
drug-ai drug-discovery de-novo-drug-design ai-aided-drug-discovery
Created 2021-07-20
16 commits to main branch, last one 3 years ago