2 results found Sort:

Global-Chem
global-chem Global-Chem
21
155
mpl-2.0
11
A Knowledge Graph of Common Chemical Names to their Molecular Definition
iupac python smiles visualization cheminformatics chemoinformatics graph-algorithms organic-chemistry scientific-visualization
Created 2020-04-26
1,516 commits to development branch, last one 2 months ago
reymond-group
CASP-and-dataset-performance reymond-group
15
45
mit
12
Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.
casp datasets synthesis retrosynthesis synthesis-routes organic-chemistry computer-aided-drug-design
Created 2019-09-24
14 commits to master branch, last one 3 years ago