https://gitlab.inria.fr/jrye/chemfeat.git
Tip revision: 2f39f190cbe8fc85d0141288ae6ff107bfe475ec authored by Jan-Michael Rye on 02 October 2023, 09:43:41 UTC
Add options to `chemfeat configure`
Add options to `chemfeat configure`
Tip revision: 2f39f19
codemeta.json
{
"@context": [
"https://doi.org/10.5063/schema/codemeta-2.0",
"https://w3id.org/software-iodata",
"https://raw.githubusercontent.com/jantman/repostatus.org/master/badges/latest/ontology.jsonld",
"https://schema.org",
"https://w3id.org/software-types"
],
"@type": "SoftwareSourceCode",
"author": "Jan-Michael Rye",
"codeRepository": "https://gitlab.inria.fr/jrye/chemfeat",
"description": "Calculate feature vectors for molecules using cheminformatics libraries.",
"email": "jan-michael.rye@inria.fr",
"identifier": "chemfeat",
"license": "http://spdx.org/licenses/MIT",
"name": "chemfeat",
"operatingSystem": "OS Independent",
"runtimePlatform": "Python 3",
"softwareHelp": "https://jrye.gitlabpages.inria.fr/chemfeat/",
"softwareRequirements": [
{
"@type": "SoftwareApplication",
"identifier": "docstring-parser",
"name": "docstring-parser",
"runtimePlatform": "Python 3"
},
{
"@type": "SoftwareApplication",
"identifier": "padel-pywrapper",
"name": "padel-pywrapper",
"runtimePlatform": "Python 3"
},
{
"@type": "SoftwareApplication",
"identifier": "pandas",
"name": "pandas",
"runtimePlatform": "Python 3"
},
{
"@type": "SoftwareApplication",
"identifier": "pyyaml",
"name": "pyyaml",
"runtimePlatform": "Python 3"
},
{
"@type": "SoftwareApplication",
"identifier": "rdkit",
"name": "rdkit",
"runtimePlatform": "Python 3"
},
{
"@type": "SoftwareApplication",
"identifier": "simple-file-lock",
"name": "simple-file-lock",
"runtimePlatform": "Python 3"
}
],
"targetProduct": {
"@type": "CommandLineApplication",
"description": "\nCommand-line utility for calculating chemical features.\n",
"executableName": "chemfeat",
"name": "chemfeat",
"runtimePlatform": "Python 3"
},
"version": "2023.9.post1.dev0"
}