GitHub / learningmatter-mit 4 projects

Learning Matter @ MIT

Rafael Gomez-Bombarelli Group @ MIT

https://gomezbombarelli.mit.edu/

Projects

Updated 11 months ago

patentchem • Rank 4.2 • Science 59%

Downloads USPTO patents and finds molecules related to keyword queries

cheminformatics chemistry patent-data patent-search uspto

Updated 11 months ago

uvvisml • Science 57%

Predict optical properties of molecules with machine learning.

cheminformatics deep-learning machine-learning molecular-property-prediction spectroscopy uvvis-spectroscopy

Updated 11 months ago

matex • Science 62%

Code for extrapolation in materials property prediction as proposed in "Known Unknowns: Out-of-Distribution Property Prediction in Materials and Molecules".

Engineering Artificial Intelligence and Machine Learning (40%)

Updated 11 months ago

surface-sampling • Science 75%

MCMC-based algorithm for sampling surface reconstructions