molfunc

Fast molecular functionalisation

Project description

molfunc enables adding molecular fragments e.g. Me, Ph etc. to existing 3D structures.

2.0.0b0 pre-release

Nov 8, 2021

2.0.0a0 pre-release

Sep 13, 2021

This version

1.0.0

Feb 15, 2021

1.0.0b0 pre-release

Jul 19, 2020

1.0.0a3 pre-release

Jun 29, 2020

1.0.0a2 pre-release

Jun 25, 2020

1.0.0a1 pre-release

Jun 16, 2020

1.0.0a0 pre-release yanked

Jun 11, 2020

Reason this release was yanked:

Major bug in CombinedMolecule with frag_smiles init

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Uploaded Feb 15, 2021 Source

Details for the file molfunc-1.0.0.tar.gz.

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Upload date: Feb 15, 2021
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Uploaded via: twine/3.3.0 pkginfo/1.7.0 requests/2.25.1 setuptools/52.0.0.post20210125 requests-toolbelt/0.9.1 tqdm/4.56.0 CPython/3.8.5