Pinned Repositories
2019-Science-Denmark
aizynthfinder-1
A tool for retrosynthetic planning
awesome-python-chemistry
A curated list of Python packaes related to chemistry
CASP-and-dataset-performance
Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.
dftd4
A Generally Applicable Atomic-Charge Dependent London Dispersion Correction
DL4MolecularGraph
Literature of deep learning for graphs in Chemistry and Biology
Machine-learning-for-proteins
Listing of papers about machine learning for proteins.
Reaxtica
AutoSynRoute
Reaxtica
lkjoutlook's Repositories
lkjoutlook/2019-Science-Denmark
lkjoutlook/aizynthfinder-1
A tool for retrosynthetic planning
lkjoutlook/awesome-python-chemistry
A curated list of Python packaes related to chemistry
lkjoutlook/CASP-and-dataset-performance
Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.
lkjoutlook/dftd4
A Generally Applicable Atomic-Charge Dependent London Dispersion Correction
lkjoutlook/DL4MolecularGraph
Literature of deep learning for graphs in Chemistry and Biology
lkjoutlook/Machine-learning-for-proteins
Listing of papers about machine learning for proteins.
lkjoutlook/Reaxtica