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
sakibmatin/BayesOptim.jl
An opinionated Julia wrapper for Bayesian Optimization.
sakibmatin/3d-vision-transformers
A list of 3D computer vision papers with Transformers
sakibmatin/ALF
A framework for performing active learning for training machine-learned interatomic potentials.
sakibmatin/async_hyperopt
Asynchronous parallelized hyperparameter tuning with Ray and Ax
sakibmatin/cc4s
Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s
sakibmatin/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/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
sakibmatin/hippynn
python library for atomistic machine learning
sakibmatin/dgl
Python package built to ease deep learning on graph, on top of existing DL frameworks.
sakibmatin/effective-pandas
Source code for my collection of articles on using pandas.
sakibmatin/Elastic
A module for ASE for elastic constants calculation.
sakibmatin/equiformer_v2
[ICLR'24] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations
sakibmatin/FiniteDifferences.jl
High accuracy derivatives, estimated via numerical finite differences (formerly FDM.jl)
sakibmatin/JuliaSCGA.jl
Self-consistent Gaussian approximation
sakibmatin/lammps
Public development project of the LAMMPS MD software package - update to work 2 layer models
sakibmatin/lammps-tutorials
LAMMPS tutorials for Beginners
sakibmatin/lammpstutorials-inputs
LAMMPS input from lammpstutorials.github.io
sakibmatin/marp
The entrance repository of Markdown presentation ecosystem
sakibmatin/Measurements.jl
Error propagation calculator and library for physical measurements. It supports real and complex numbers with uncertainty, arbitrary precision calculations, operations with arrays, and numerical integration.
sakibmatin/numdifftools
Solve automatic numerical differentiation problems in one or more variables.
sakibmatin/peterroelants.github.io
Blog
sakibmatin/phonax
sakibmatin/PIMD_Tutorial
This is a repo to store a tutorial on PIMD simulation of water.
sakibmatin/pointnet
PointNet: Deep Learning on Point Sets for 3D Classification and Segmentation
sakibmatin/research_notebook
My personal research notebook with notes, tutorials, and resources written in Jupyterbook.
sakibmatin/SpinMC.jl
Classical Monte Carlo simulations for lattice spin systems
sakibmatin/Sunny.jl
A Julia library implementing SU(N) classical spin dynamics simulations for arbitrary crystal geometries and a broad class of Hamiltonians.
sakibmatin/SunnyContributed
User contributed examples and functions for Sunny.jl
sakibmatin/uncertainty-toolbox
Uncertainty Toolbox: a Python toolbox for predictive uncertainty quantification, calibration, metrics, and visualization
sakibmatin/unicode-latex
A visual studio code extension to insert Unicode symbols given LaTeX symbol names