Learning Matter @ MIT
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NeuralForceField
NeuralForceField PublicNeural Network Force Field based on PyTorch
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AtomisticSkills
AtomisticSkills PublicIntergrating Atomistic Skills into Agentic IDEs (Cursor, Claude Code, Google Antigravity, OpenClaw, etc)
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PatentChem
PatentChem PublicDownloads USPTO patents and finds molecules related to keyword queries
Repositories
- AtomisticSkills Public
Intergrating Atomistic Skills into Agentic IDEs (Cursor, Claude Code, Google Antigravity, OpenClaw, etc)
- alm Public
Atomistic Language Models unify natural language and atomistics to understand, generate, and optimize materials. https://arxiv.org/abs/2606.21395
- ReactionGraphNeuralNetwork Public
Graph Neural Network to predict the reaction related properties for reinforcement learning
- FROMP-from-monomer Public
Mechanism-based reaction-diffusion model to predict FROMP front propagation from monomer molecular descriptors.
- XRD-GD Public
Code for XRD-based structure optimization that was used in the study presented in "The Loss Landscape of Powder X-Ray Diffraction-Based Structure Optimization Is Too Rough for Gradient Descent".
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