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acellera / packages

Package Name Access Summary Updated
acemd-base public Base package for ACEMD with minimal dependencies for running classical MD simulations. 2024-11-29
acemd public ACEMD - the next generation molecular dynamic simulation software. Full package. 2024-11-29
openmm public A high performance toolkit for molecular simulation. 2024-11-29
psfgen public No Summary 2024-11-14
HTMD public No Summary 2024-11-01
moleculekit public A molecule reading/writing and manipulation package. 2024-10-31
jobqueues public Unified interface for interacting with queueing systems. 2024-10-11
pmview public A molecular viewer for PlayMolecule. 2024-10-10
rdock public A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids 2024-08-19
htmd-deps public No Summary 2024-03-04
ffevaluation public No Summary 2024-01-04
protocolinterface public No Summary 2023-10-25
fragalysis public No Summary 2023-06-16
ax-platform public Adaptive Experimentation 2023-06-16
acemanager public No Summary 2023-06-16
progress_reporter public Python interface for progress reporting 2023-06-16
htmd-pdb2pqr public No Summary 2023-06-16
openmm-plumed2 public No Summary 2023-06-16
plumed2 public PLUMED is an open source library for free energy calculations in molecular systems 2023-06-16
acemd-platform public No Summary 2023-06-16
match public No Summary 2023-06-16
boinc public No Summary 2023-06-16
vina public Autodock Vina 2023-06-16

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