17 projects
gloss-opt
GLOSS: Global-Local-Unexplored Sampling Strategy for batch surrogate optimization in vast chemical search spaces
aichem-gloss
Global-Local-Unexplored Sampling Strategy for Bayesian Optimization
ais-gloss
AI-Scientist GLOSS Recommendation System
cuspy
Config Utils for Python
fastode
A toolset to help make python coding faster
cimg-desc
Chemical-Informed Molecular Graph Descriptor
quan-chem-kit
A toolset for quantum chemistry
cmkpy
Chemical Kits for Python
chem-scripts
chemical scripts
zeo-utils
Utilities for ZEO++
ml-scripts
Machine Learning Utils
rxndb-utils
reaction database utils
ChemNLPy
Chemical NLP for Python
table-utils
table utils
chem-utils
reaction database utils
rdu
reaction data utils
ctpy
chemicaltagger for python
