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RooCodeInc / Roo-Code
Forked from cline/clineRoo Code (prev. Roo Cline) gives you a whole dev team of AI agents in your code editor.
Alchemical machine learning interatomic potentials
A python library for calculating materials properties from the PES
The AI developer platform. Use Weights & Biases to train and fine-tune models, and manage models from experimentation to production.
GRACE models and gracemaker (as implemented in TensorPotential package)
Artificial Intelligence Research for Science (AIRS)
Let your Claude able to think
Open-source deep-learning framework for building, training, and fine-tuning deep learning models using state-of-the-art Physics-ML methods
End-To-End Molecular Dynamics (MD) Engine using PyTorch
Torch-native, batchable, atomistic simulation.
An invisible desktop application to help you pass your technical interviews.
Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format
CALPHAD tools for designing thermodynamic models, calculating phase diagrams and investigating phase equilibria.
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
Get your documents ready for gen AI
A toolkit for visualizations in materials informatics.
ORB forcefield models from Orbital Materials
SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.
An evaluation framework for machine learning models simulating high-throughput materials discovery.
21 Lessons, Get Started Building with Generative AI 🔗 https://microsoft.github.io/generative-ai-for-beginners/
Samples for CUDA Developers which demonstrates features in CUDA Toolkit
Sample codes for my CUDA programming book
MatterSim: A deep learning atomistic model across elements, temperatures and pressures.