FrAG-PELE:
A novel fragment-based growing tool for hit-to-lead in drug design
Installation
Getting Started:
Cite
Perez Lopez, C.; Soler, D.; Soliva, R.; Guallar, V. FragPELE: Dynamic Ligand Growing within a Binding Site. A Novel Tool for Hit-to-Lead Drug Design. J. Chem. Inf. Model. 2020. https://doi.org/10.1021/acs.jcim.9b00938.
1 maintainer
Release files for FragPELE 2.1.1
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| FragPELE-2.1.1.tar.gz | 137.2 kB | Details |
Release files / FragPELE-2.1.1.tar.gz
| Download URL | FragPELE-2.1.1.tar.gz |
|---|---|
| Size | 137.2 kB |
| Tags | Source |
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SHA-256 checksum How to use checksums |
e700e8a98f021e285708680105e0d2f7cd75fb8366f560360fda2702f1554d0b
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BLAKE2b-256 checksum How to use checksums |
48905980b3f9ca9b6d8fcf8cbeadfdb978efde6376619962ddba94466d0985f7
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| Uploaded via |
twine/1.15.0 pkginfo/1.5.0.1 requests/2.21.0 setuptools/38.2.3 requests-toolbelt/0.8.0 tqdm/4.31.1 CPython/2.7.5
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