6 projects
moleculekit
A molecule reading/writing and manipulation package.
jobqueues
Wrappers for various queueing systems in python.
acellera-htmd
High throughput molecular dynamics (HTMD)
torchmd
TorchMD. Molecular dynamics with pytorch
torchmd-cg
TorchMD-CG. Coarse Grained molecular dynamics with pytorch
protocolinterface
ProtocolInterface: A class to make python classes validate arguments.