FragPELE
FragPELE, a new tool for in silico hit-to-lead drug design, capable of growing a frag_pelement into a core while exploring the protein-ligand conformational space
Installation
In a virtualenv (see these instructions if you need to create one):
pip3 install fragpele
Releases
| Version | Released | Buster Python 3.7 |
Bullseye Python 3.9 |
Bookworm Python 3.11 |
Files |
|---|---|---|---|---|---|
| 2.1.1 | 2020-03-30 | ||||
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