Projects: pypi: CGRtools
https://packages.ecosyste.ms/registries/pypi.org/packages/CGRtools
CGRs, molecules and reactions manipulation
12 versions
Latest release: over 3 years ago
322 downloads last month
Enhanced Analysis
Repository Activity:
Repository Owner:
KFU ChemoInformatics and Molecular Modeling Laboratory (organization)
Academic
Science Score: 100/100
Starting Score: 100 points
Bonuses:
-
+20
Academic repository owner
Repository owned by academic institution -
+15
Institutional repository owner
Repository owned by research institution
Penalties:
-
-10
PyPI ecosystem
General-purpose ecosystem -
-10
No science terms in description
No scientific terms found in description
Very Likely Science (100)
Papers Mentioning CGRtools 2
10.1186/s13321-020-00460-5
Molecular representations in AI-driven drug discovery: a review and practical guideCited by: 176
Author(s): Laurianne David, Amol Thakkar, Rocío Mercado, Ola Engkvist
Software Mentions: 2
Published: almost 6 years ago
10.1038/s41598-021-81889-y
Discovery of novel chemical reactions by deep generative recurrent neural networkCited by: 34
Author(s): William Bort, Igor I. Baskin, Timur Gimadiev, Artem Mukanov, Ramil Nugmanov, Pavel Sidorov, Gilles Marcou, Dragos Horvath, Olga Klimchuk, Timur Madzhidov, Alexandre Varnek
Software Mentions: 2
Published: over 5 years ago