4 results found Sort:

CDDLeiden
DrugEx CDDLeiden
13
102
mit
4
De Novo Drug Design with RNNs and Transformers
deep-learning drug-discovery cheminformatics de-novo-drug-design reinforcement-learning
Created 2022-04-04
1,163 commits to master branch, last one about a month ago
KeenThera
SECSE KeenThera
17
78
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
66 commits to master branch, last one about a month ago
CDDLeiden
PCMol CDDLeiden
2
35
mit
4
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
Created 2024-01-23
31 commits to main branch, last one 3 months ago
JanoschMenke
metis JanoschMenke
5
27
mit
2
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
24 commits to main branch, last one about a month ago