Molecular Generation
3 projects
Showing 3 of 3 projects
MOSESPython
A benchmarking platform for molecular generation models, providing datasets, implementations, and evaluation metrics for drug discovery research.
#molecular-generation#cheminformatics#deep-learning
Stars969
Forks277
Last commit1 year ago
JTVAEPython
A junction tree variational autoencoder for generating valid molecular graphs with desired chemical properties.
#molecular-generation#graph-neural-networks#variational-autoencoder
Stars556
Forks197
Last commit3 years ago
REINVENTPython
A reinforcement learning framework for de novo drug design that generates novel molecular structures with desired properties.
#molecular-generation#ai-drug-discovery#cheminformatics
Stars373
Forks113
Last commit11 months ago
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