amber 开源项目推荐（179 个）

amberframework /amber

A Crystal web framework that makes building applications fast, simple, and enjoyable. Get started with quick prototyping, less bugs, and blazing fast performance.

EgeBalci /amber

反光PE封隔器。

openforcefield /openff-toolkit

The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io

jewettaij /moltemplate

A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies

amberframework /granite

ORM Model with Adapters for mysql, pg, sqlite in the Crystal Language.

AspirinCode /awesome-AI4MolConformation-MD

使用生成性人工智能和深度学习的分子（小分子、RNA、肽、蛋白质、酶、抗体和PPI）的形态和分子动力学（力场）列表

noahlh /celestite

Beautifully reactive, server-side rendered Svelte apps w/ a Crystal backend

openforcefield /openff-interchange

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

docelic /amber-introduction

Introduction to the Amber web framework and its features

PoomSmart /Amber

Amber-ify LED torch of your iOS device.

Welding-Torch /Amber-theme

Amber-theme for Windows Terminal

insilichem /ommprotocol

A command line application to launch molecular dynamics simulations with OpenMM

John-Kazan /MDGuide

Guide for Molecular dynamics (MD) simulations with AMBER Software on ASU Sol cluster

JMorado /ParaMol

A Package for Parametrization of Molecular Mechanics Force Fields

Kitaolab /PaCS-Toolkit

PaCS-工具包：针对PaCS-MD及后续分析优化的软件工具

GrahamLea /amberelectic-api-tools

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

bitrockteam /amber-components

Web Components implementation of the Amber Design System.

bio-phys /cnt-gaff

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

m3g /ComplexMixtures.jl

Package to perform minimum-distance distribution analyses of complex solute-solvent interactions

KuguHome /openhab-binding-wmbus

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