Popular repositories Loading
-
chemical_vae
chemical_vae PublicCode for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow
-
stoned-selfies
stoned-selfies PublicThis repository contains code for the paper: Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discovery (STONED) Algorithm for Molecules using SELFIES
Repositories
Showing 10 of 78 repositories
- ElAgenteEstructuralCaseStudies Public
This repo contains raw data result from Estructural agent geometry manipulations.
aspuru-guzik-group/ElAgenteEstructuralCaseStudies’s past year of commit activity - TreeWriter Public
aspuru-guzik-group/TreeWriter’s past year of commit activity - CompositeMS Public
aspuru-guzik-group/CompositeMS’s past year of commit activity - AgentAutoBench Public
aspuru-guzik-group/AgentAutoBench’s past year of commit activity - TreeReader Public
aspuru-guzik-group/TreeReader’s past year of commit activity - Parallelized-DFT-ORCA Public
aspuru-guzik-group/Parallelized-DFT-ORCA’s past year of commit activity
Top languages
Loading…
Most used topics
Loading…