materials-discovery topic
maml
Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.
mat_discover
A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.
aviary
The Wren sits on its Roost in the Aviary.
roost
Representation Learning from Stoichiometry
High-Entropy-Alloys
Generate random alloys and compute various properties
best-of-atomistic-machine-learning
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
matbench-discovery
An evaluation framework for machine learning models simulating high-throughput materials discovery.
this-material-does-not-exist
Vote on whether you think predicted crystal structures could be synthesised