ChemFeat - Inria - Institut national de recherche en sciences et technologies du numérique

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Software Year : 2023

ChemFeat

(1, 2)

1
2

Jan Michael Rye

Function : Design
PersonId : 1295903
IdHAL : mike-rye
ORCID : 0009-0005-0109-6598

Inria Lyon

La pharmacologie des neurones et des astrocytes à l’aide des sciences du numérique

Abstract

Calculate feature vectors for molecules using cheminformatics libraries.

Keywords

Python Cheminformatics Machine learning Deep learning

Domains

Artificial Intelligence [cs.AI] Cheminformatics

Jan-Michael Rye : Connect in order to contact the contributor

https://hal.science/hal-04248197

Submitted on : Wednesday, October 18, 2023-3:21:00 PM

Last modification on : Friday, October 20, 2023-3:37:36 AM

Dates and versions

hal-04248197 , version 1 (18-10-2023)

Identifiers

HAL Id : hal-04248197 , version 1
SWHID : swh:1:dir:97647e8cc377bcb350f3169bdf1218da6f0152bf;origin=https://gitlab.inria.fr/jrye/chemfeat.git;visit=swh:1:snp:02443124ed4ee0d8d724fefd38bf9b271361cc09;anchor=swh:1:rev:25bfa1d9d55358292cbdf185f96f20c4d9f17893

version : 2023.11
Software License : http://spdx.org/licenses/MIT
Programming Language : Python
Code Repository : https://gitlab.inria.fr/jrye/chemfeat

Cite

Jan Michael Rye. ChemFeat. 2023, ⟨swh:1:dir:97647e8cc377bcb350f3169bdf1218da6f0152bf;origin=https://gitlab.inria.fr/jrye/chemfeat.git;visit=swh:1:snp:02443124ed4ee0d8d724fefd38bf9b271361cc09;anchor=swh:1:rev:25bfa1d9d55358292cbdf185f96f20c4d9f17893⟩. ⟨hal-04248197⟩

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