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Stefan Doerr

Username    stefdoerr
Date joined   Joined

33 projects

playmolecule

Last released

The playmolecule python code.

moleculekit

Last released

A molecule reading/writing and manipulation package.

acellera-rdock-api

Last released

acellera-energyforcecalculators

Last released

acellera-playmoleculeweb

Last released

acellera-aceprofiler

Last released

acellera-skeledock

Last released

acellera-plexview

Last released

acellera-pathwaymap

Last released

acellera-membranebuilder

Last released

acellera-ligdream

Last released

acellera-ligann

Last released

acellera-kdeeptrainer

Last released

acellera-kdeep

Last released

acellera-glimpse

Last released

acellera-generative

Last released

acellera-deltadelta

Last released

acellera-deepsite

Last released

acellera-bindscope

Last released

acellera-adaptivesampling

Last released

acellera-aceprep

Last released

acellera-acedock

Last released

acellera-systembuilder

Last released

acellera-simplerun

Last released

acellera-proteinprepare

Last released

acellera-parameterize

Last released

acellera-crypticscout

Last released

jobqueues

Last released

Wrappers for various queueing systems in python.

torchmd-cg

Last released

TorchMD-CG. Coarse Grained molecular dynamics with pytorch

molkitten

Last released

A molecule reading/writing and manipulation package.

acellera-htmd

Last released

High throughput molecular dynamics (HTMD)

torchmd

Last released

TorchMD. Molecular dynamics with pytorch

protocolinterface

Last released

ProtocolInterface: A class to make python classes validate arguments.

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