Stars
Benchmark for generative models for materials
Claude Code is an agentic coding tool that lives in your terminal, understands your codebase, and helps you code faster by executing routine tasks, explaining complex code, and handling git workflo…
Pure Numpy Implementation of the Coherent Point Drift Algorithm
geonho42 / PORMAKE_v2
Forked from Sangwon91/PORMAKEPython library for the construction of porous materials using topology and building blocks.
Implement a ChatGPT-like LLM in PyTorch from scratch, step by step
cuEquivariance is a math library that is a collective of low-level primitives and tensor ops to accelerate widely-used models, like DiffDock, MACE, Allegro and NEQUIP, based on equivariant neural n…
cheat allows you to create and view interactive cheatsheets on the command-line. It was designed to help remind *nix system administrators of options for commands that they use frequently, but not …
This software is a general purpose classical simulation package. Online documentation available at:
A system for rapid identification and analysis of metal-organic frameworks
GPU Monte Carlo Simulation Code with a taste of RASPA
FMcil / mofdscribe-1
Forked from lamalab-org/mofdscribeAn ecosystem for digital reticular chemistry
The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.
The simplest, fastest repository for training/finetuning medium-sized GPTs.
A Reinforcement Framework for Inverse Design of MOFs
Python library for the construction of porous materials using topology and building blocks.
Type annotations and runtime checking for shape and dtype of JAX/NumPy/PyTorch/etc. arrays. https://docs.kidger.site/jaxtyping/
Official implementation of geometric algebra transformers for large biomedical surface and volume meshes (LaB-GATr)
arXiv LaTeX Cleaner: Easily clean the LaTeX code of your paper to submit to arXiv
A Lorentz-Equivariant Transformer for All of the LHC
Code used by the "Clifford Group Equivariant Neural Networks" paper.