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Acellera

Towards Computerized Drug Discovery

68 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 276 60
moleculekit moleculekit Public

MoleculeKit: Your favorite molecule manipulation kit

Python 246 34

Repositories

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All C++ Jupyter Notebook Perl Python Rich Text Format Shell

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Showing 10 of 34 repositories

moleculekit Public
MoleculeKit: Your favorite molecule manipulation kit

Acellera/moleculekit's past year of commit activity

Python 246 34 7 0 Updated Sep 24, 2026
openmm Public Forked from openmm/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.

Acellera/openmm's past year of commit activity

C++ 0 648 0 1 Updated Sep 24, 2026
acegen-open Public
Language models for drug discovery using torchrl

Acellera/acegen-open's past year of commit activity

Python 121 MIT 19 0 2 Updated Sep 23, 2026
htmd Public
HTMD: Programming Environment for Molecular Discovery

Acellera/htmd's past year of commit activity

Rich Text Format 276 60 8 0 Updated Sep 23, 2026
ai-lab-notes Public
An experiment on running a discovery campaign using AI scientists on PlayMolecule AI

Acellera/ai-lab-notes's past year of commit activity

0 MIT 1 0 0 Updated Sep 10, 2026
speak-to-a-protein Public
Repo to reproduce the Speak to a Protein paper on open.playmolecule.org

Acellera/speak-to-a-protein's past year of commit activity

Python 1 MIT 0 0 0 Updated Aug 14, 2026
atm Public

Acellera/atm's past year of commit activity

Python 2 3 0 1 Updated Aug 14, 2026
rDock Public Forked from CBDD/rDock
Fork of rDock to build for Ubuntu conda release

Acellera/rDock's past year of commit activity

C++ 0 LGPL-3.0 27 0 1 Updated Aug 6, 2026
func2argparse Public
Converts python functions to argparse objects

Acellera/func2argparse's past year of commit activity

Python 2 0 0 0 Updated Jul 31, 2026
pdb2pqr Public Forked from Electrostatics/pdb2pqr
PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.

Acellera/pdb2pqr's past year of commit activity

Python 1 48 0 0 Updated Jul 30, 2026

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