sakibmatin Goto Github PK
Name: Sakib Matin
Type: User
Company: Los Alamos National Lab
Bio: Machine Learning, Statistical Mechanics and Quantum Chemistry.
Location: Los Alamos, NM
Name: Sakib Matin
Type: User
Company: Los Alamos National Lab
Bio: Machine Learning, Statistical Mechanics and Quantum Chemistry.
Location: Los Alamos, NM
A list of 3D computer vision papers with Transformers
A framework for performing active learning for training machine-learned interatomic potentials.
Asynchronous parallelized hyperparameter tuning with Ray and Ax
An opinionated Julia wrapper for Bayesian Optimization.
Bayesian optimization in PyTorch
This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s
2017-09-26 Linux source.
Calculate CM5 charges from Hirshfeld charges.
Interactive deep learning book with multi-framework code, math, and discussions. Adopted at 500 universities from 70 countries including Stanford, MIT, Harvard, and Cambridge.
A deep learning package for many-body potential energy representation and molecular dynamics
Python package built to ease deep learning on graph, on top of existing DL frameworks.
Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting
A lammps fix module to perform path integral molecular dynamics (PIMD) tasks.
Source code for my collection of articles on using pandas.
A module for ASE for elastic constants calculation.
Autoencoder neural network to compress properties of atomic species into a vector representation
[ICLR'24] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations
Equivariant Transformer (ET) layers are image-to-image mappings that incorporate prior knowledge on invariances with respect to continuous transformations groups (ICML 2019). Paper: https://arxiv.org/abs/1901.11399
High accuracy derivatives, estimated via numerical finite differences (formerly FDM.jl)
Relax! Flux is the ML library that doesn't make you tensor
python library for atomistic machine learning
Self-consistent Gaussian approximation
Public development project of the LAMMPS MD software package - update to work 2 layer models
LAMMPS tutorials for Beginners
Required LAMMPS and MATLAB files for several molecular dynamics simulations.
LAMMPS input from lammpstutorials.github.io
The entrance repository of Markdown presentation ecosystem
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.
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.