Artificial Intelligence for Materials Science group
Popular repositories Loading
-
gcnn_keras
gcnn_keras PublicGraph convolutions in Keras with TensorFlow, PyTorch or Jax.
-
-
materials_concepts
materials_concepts PublicPredicting the future of materials science with AI.
-
-
perovskite_htm_screening
perovskite_htm_screening PublicCode for paper "Accelerating the discovery of materials for integrated/complex device"
Repositories
Showing 10 of 55 repositories
- cluster-tunnel Public
Authenticated SSH tunnels + session-scoped compute-budget guard for HPC clusters, as a CLI for coding agents.
- multi-atoms Public
- agent-skills Public
A collection of agent skills for computational chemistry, materials science, and AI research
- Log-Dispersion-Regularization Public
Repository containing the code of our ICML 2026 paper "Efficient Training of Boltzmann Generators Using Off-Policy Log-Dispersion Regularization"
Top languages
Loading…
Most used topics
Loading…