A Crystal web framework that makes building applications fast, simple, and enjoyable. Get started with quick prototyping, less bugs, and blazing fast performance.
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Nov 18, 2022 - Crystal
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amber
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The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
molecular-dynamics
openmm
amber
force-fields
molecular-mechanics
forcefield
chemical-environment-perception
smirnoff-force-field
nsf-grant-che-1738979
forcefield-parameterization
open-force-field-consortium
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Nov 19, 2022 - Python
A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
molecular-dynamics
open-science
coarse-grained-molecular-dynamics
lammps
amber
opls
force-fields
molecule-builder
molecule-editor
lammps-script-creator
lammps-data
lammps-tool
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Oct 31, 2022 - Python
Introduction to the Amber web framework and its features
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Nov 13, 2019 - Crystal
A command line application to launch molecular dynamics simulations with OpenMM
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Apr 7, 2022 - Python
Web Components implementation of the Amber Design System.
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Oct 5, 2022 - CSS
A Package for Parametrization of Molecular Mechanics Force Fields
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Nov 13, 2022 - Python
openHAB binding to receive and decode WMBus messages (OMS+Techem)
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Apr 28, 2022 - Java
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.
automation
bioinformatics
job-scheduler
molecular-dynamics
slurm
sge
torque
scientific-computing
high-performance-computing
supercomputer
lammps
charmm
pbs-pro
job-queue
lsf-jobs
namd
gromacs
job-submission
biosimulation
amber
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Jan 13, 2020 - Python
Build atomistic structures of carbon nanotubes with the possibility to add functional groups (OH, COOH, COO-) and assigns generalized Amber (GAFF) parameters to them.
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Jan 27, 2020 - Rich Text Format
WIP. amber framework realworld example app
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Jan 31, 2018 - Crystal
Docs & guides for the Amber Design System.
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Oct 5, 2022 - Vue
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