33 projects
playmolecule
The playmolecule python code.
moleculekit
A molecule reading/writing and manipulation package.
acellera-rdock-api
acellera-energyforcecalculators
acellera-playmoleculeweb
acellera-aceprofiler
acellera-skeledock
acellera-plexview
acellera-pathwaymap
acellera-membranebuilder
acellera-ligdream
acellera-ligann
acellera-kdeeptrainer
acellera-kdeep
acellera-glimpse
acellera-generative
acellera-deltadelta
acellera-deepsite
acellera-bindscope
acellera-adaptivesampling
acellera-aceprep
acellera-acedock
acellera-systembuilder
acellera-simplerun
acellera-proteinprepare
acellera-parameterize
acellera-crypticscout
jobqueues
Wrappers for various queueing systems in python.
torchmd-cg
TorchMD-CG. Coarse Grained molecular dynamics with pytorch
molkitten
A molecule reading/writing and manipulation package.
acellera-htmd
High throughput molecular dynamics (HTMD)
torchmd
TorchMD. Molecular dynamics with pytorch
protocolinterface
ProtocolInterface: A class to make python classes validate arguments.