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acellera / packages

Package Name Access Summary Updated
acellera-atm public Acellera AToM - Relative Binding Free Energy (RBFE) Calculations. 2025-03-25
acemd-base public Base package for ACEMD with minimal dependencies for running classical MD simulations. 2025-03-25
openmm public A high performance toolkit for molecular simulation. 2025-03-25
pmview public A molecular viewer for PlayMolecule. 2025-03-25
rdock public A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids 2025-03-25
jobqueues public Unified interface for interacting with queueing systems. 2025-03-25
fragalysis public No Summary 2025-03-25
ax-platform public Adaptive Experimentation 2025-03-25
ffevaluation public No Summary 2025-03-25
moleculekit public A molecule reading/writing and manipulation package. 2025-03-25
acemanager public No Summary 2025-03-25
protocolinterface public No Summary 2025-03-25
openmm-plumed2 public No Summary 2025-03-25
htmd-deps public No Summary 2025-03-25
progress_reporter public Python interface for progress reporting 2025-03-25
boinc public No Summary 2025-03-25
match public No Summary 2025-03-25
acemd-platform public No Summary 2025-03-25
htmd-pdb2pqr public No Summary 2025-03-25
plumed2 public PLUMED is an open source library for free energy calculations in molecular systems 2025-03-25
psfgen public No Summary 2025-03-25
acemd public ACEMD - the next generation molecular dynamic simulation software. Full package. 2025-03-25
vina public Autodock Vina 2025-03-25
HTMD public High-Throughput Molecular Dynamics package 2025-03-25
pathos public parallel graph management and execution in heterogeneous computing 2023-06-16

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