3 results found Sort:

AspirinCode
papers-for-molecular-design-using-DL AspirinCode
82
569
gpl-3.0
22
List of molecular design using Generative AI and Deep Learning
gan rnn vae gnns lstm diffusion drug-design transformer generative-ai prompt-learning molecular-design energy-based-model deep-generative-models reinforcement-learning score-based-generative-models
Created 2023-02-28
624 commits to main branch, last one 10 days ago
choderalab
perses choderalab
50
178
mit
21
Experiments with expanded ensembles to explore chemical space
openmm python simulation molecular-design expanded-ensembles molecular-dynamics relative-free-energy free-energy-perturbation
Created 2014-11-24
3,843 commits to main branch, last one 6 months ago
gncs
molgym gncs
24
116
mit
5
Reinforcement Learning for Molecular Design Guided by Quantum Mechanics
molecular-design quantum-chemistry reinforcement-learning
Created 2020-06-26
15 commits to master branch, last one 2 years ago