sakibmatin
Machine Learning, Statistical Mechanics and Quantum Chemistry.
Los Alamos National LabLos Alamos, NM
Pinned Repositories
3d-vision-transformers
A list of 3D computer vision papers with Transformers
ALF
A framework for performing active learning for training machine-learned interatomic potentials.
async_hyperopt
Asynchronous parallelized hyperparameter tuning with Ray and Ax
BayesOptim.jl
An opinionated Julia wrapper for Bayesian Optimization.
botorch
Bayesian optimization in PyTorch
calc-ir-spectra-from-lammps
This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
cc4s
Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s
chargemol
2017-09-26 Linux source.
CM5-calculator
Calculate CM5 charges from Hirshfeld charges.
d2l-en
Interactive deep learning book with multi-framework code, math, and discussions. Adopted at 500 universities from 70 countries including Stanford, MIT, Harvard, and Cambridge.
sakibmatin's Repositories
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