amber topic

A project (and object) for storing, manipulating, and converting molecular mechanics data.

openforcefield

Web Components implementation of the Amber Design System.

bitrockteam

Longbow is a tool for automating simulations on a remote HPC machine. Longbow is designed to mimic the normal way an application is run locally but allows simulations to be sent to powerful machines.

HECBioSim

openHAB binding to receive and decode WMBus messages (OMS+Techem)

KuguHome

A collection of command-line tools (and Python functions) that can be used to work with data from the Amber Electric API.

GrahamLea

A command line application to launch molecular dynamics simulations with OpenMM

insilichem

Build atomistic structures of carbon nanotubes with the possibility to add functional groups (OH, COOH, COO-) and assigns generalized Amber (GAFF) parameters to them.

bio-phys

Membrane protein builder and parameterizer

Eigenstate

List of molecules (small molecules, RNA, peptide, protein, enzymes, antibody, and PPIs) conformations and molecular dynamics (force fields) using generative artificial intelligence and deep learning

AspirinCode