Pinned Repositories
273aFinal
Final Project for Mathematics 273: Basics Optimization Theory
AlgoZoo
AM216Final2019
berkeley_pes
bondnet
A general graph neural network for the prediction of reaction-level properties
CPET
Analyze classical electric fields within chemical structures
HEML
ML_CO2
Property prediction of CO2 Sequestering Compounds
qtaim_embed
qtaim_generator
santi921's Repositories
santi921/bondnet
A general graph neural network for the prediction of reaction-level properties
santi921/ML_CO2
Property prediction of CO2 Sequestering Compounds
santi921/AM216Final2019
santi921/berkeley_pes
santi921/CPET
Analyze classical electric fields within chemical structures
santi921/HEML
santi921/qtaim_embed
santi921/qtaim_generator
santi921/273aFinal
Final Project for Mathematics 273: Basics Optimization Theory
santi921/AlgoZoo
santi921/COptR
Circuit Optimization and Representation
santi921/gcbh2
santi921/GraphProteins
santi921/hello-numerical-world-atpesc-2020
Hello Numerical World repository copy for ATPESC 2020
santi921/HiPRGen
santi921/kmcluster
KMC on clusters
santi921/ml_PES_utils
santi921/n2p2
n2p2 - A Neural Network Potential Package
santi921/pygcga2
santi921/rxnrep
Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.
santi921/santi921.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
santi921/SIMPLE-NN_v2
santi921/SpookyNet
Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"
santi921/vae_dist
santi921/WebcamInterface