DavidW99/PyRAI2MD-hiam
Python Rapid Artificial Intelligence Ab Initio Molecular Dynamics
Python Rapid Artificial Intelligence Ab Initio Molecular Dynamics
NequIP is a code for building E(3)-equivariant interatomic potentials
A lightweight alternative to OpenClaw that runs in containers for security. Connects to WhatsApp, Telegram, Slack, Discord, Gmail and other messaging apps,, has memory, scheduled jobs, and runs directly on Anthropic's Agents SDK
Better Harness Tools, not merely storing the archive of leaked Claude Code but also make shit things done. Featured in Wall Street Journal
FLARE tutorial
Lab Materials for MIT 6.S191: Introduction to Deep Learning
Automatic differentiation package as a final project for a class
Lab materials for MIT 3.320 and Harvard AP 275 courses on atomistic modeling
Pretrained universal neural network potential for charge-informed atomistic modeling
Build neural networks for machine learning force fields with JAX
Differentiable, Hardware Accelerated, Molecular Dynamics
A Google-Colab Notebook Collection for Materials Design
An open-source Python package for creating fast and accurate interatomic potentials.
A beautiful, simple, clean, and responsive Jekyll theme for academics
Git Source Code Mirror - This is a publish-only repository but pull requests can be turned into patches to the mailing list via GitGitGadget (https://gitgitgadget.github.io/). Please follow Documentation/SubmittingPatches procedure for any of your improvements.
Homebrew tap for high energy physics
Numerical Simulation of Damping Simple Gravity Pendulum