Pinned Repositories
fairchem
FAIR Chemistry's library of machine learning methods for chemistry
catmap
Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening
ElectroMEPA
GASpy
A branch of GASpy which delete Docker dependency
lixinyuu.github.io
ocp-LEPool
https://opencatalystproject.org/
sklearn-pso
Use partical swarm optimization instead of gridsearch in scikit-learn
submitit
Python 3.6+ toolbox for submitting jobs to Slurm
GNNforCatalysis-DGL
GP-representations
lixinyuu's Repositories
lixinyuu/sklearn-pso
Use partical swarm optimization instead of gridsearch in scikit-learn
lixinyuu/catmap
Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening
lixinyuu/ElectroMEPA
lixinyuu/GASpy
A branch of GASpy which delete Docker dependency
lixinyuu/lixinyuu.github.io
lixinyuu/ocp-LEPool
https://opencatalystproject.org/
lixinyuu/submitit
Python 3.6+ toolbox for submitting jobs to Slurm