lkjoutlook's repositories
MIT000
dftd4
A Generally Applicable Atomic-Charge Dependent London Dispersion Correction
LGPL-3.0000
aizynthfinder-1
A tool for retrosynthetic planning
MIT000
DL4MolecularGraph
Literature of deep learning for graphs in Chemistry and Biology
000
Machine-learning-for-proteins
Listing of papers about machine learning for proteins.
GPL-3.0000
CASP-and-dataset-performance
Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.
MIT000
awesome-python-chemistry
A curated list of Python packaes related to chemistry
NOASSERTION000