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Acellera

Towards Computerized Drug Discovery

27 followers
London, Barcelona
https://www.acellera.com
info@acellera.com

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htmd htmd Public

HTMD: Programming Environment for Molecular Discovery

Rich Text Format 249 58
moleculekit moleculekit Public

MoleculeKit: Your favorite molecule manipulation kit

Python 192 36

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Showing 10 of 28 repositories

moleculekit Public
MoleculeKit: Your favorite molecule manipulation kit

Python 192 36 8 1 Updated May 7, 2024
acegen-open Public
Language models for drug discovery using torchrl

Python 3 MIT 2 0 1 Updated Apr 29, 2024
htmd Public
HTMD: Programming Environment for Molecular Discovery

Rich Text Format 249 58 19 0 Updated Apr 4, 2024
jobqueues Public
jobschedules extracted from htmd/htmd/queues

Python 0 0 0 0 Updated Mar 4, 2024
rDock Public Forked from CBDD/rDock
Fork of rDock to build for Ubuntu conda release

C++ 0 LGPL-3.0 20 0 0 Updated Feb 29, 2024
sellers Public
Hosting for Seller's dataset

0 0 0 0 Updated Jan 24, 2024
ffevaluation Public
Forcefield evaluation in python using numba

Python 4 2 2 0 Updated Jan 4, 2024
func2argparse Public
Converts python functions to argparse objects

Python 2 0 0 0 Updated Nov 20, 2023
SSTMap Public Forked from KurtzmanLab/SSTMap
Solvation Structure and Thermodynamic Mapping

Python 0 MIT 23 0 0 Updated Nov 14, 2023
htmd-data Public
Data for HTMD tests and examples

AMPL 0 1 0 0 Updated Nov 6, 2023

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