Pinned Repositories
raman-unmixing-aes
Codebase supporting "Hyperspectral unmixing for Raman spectroscopy via physics-constrained autoencoders"
RamanSPy
RamanSPy: An open-source Python package for integrative Raman spectroscopy data analysis
minimol
MiniMol is a 10M-parameters molecular fingerprinting model pre-trained on >3300 biological and quantum tasks
ocp
https://opencatalystproject.org/
dgeorgiev21's Repositories
dgeorgiev21/minimol
MiniMol is a 10M-parameters molecular fingerprinting model pre-trained on >3300 biological and quantum tasks