328 Open source projects that are alternatives of or similar to Gromacswrapper

Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations

MDAnalysis is a Python library to analyze molecular dynamics trajectories.

Powerful, efficient particle trajectory analysis in scientific Python.

Molecular dynamics simulation software

the simple alchemistry library

Examples for the usage of LaTeX

Repository for the CWL standards. Use https://cwl.discourse.group/ for support 😊

Official code repository for GATK versions 4 and up

Distributed publishing platform and discussion network for scholars. Establishing an unenclosable scholarly commons.

Platform-independent lightweight Python library for designing and conducting timing-critical behavioural and neuroimaging experiments

Mendelable displays information about the elements of the periodic table in a modern and pleasant way.

The Julia Programming Language

CBRAIN is a flexible Ruby on Rails framework for accessing and processing of large data on high-performance computing infrastructures.

A mindmap summarising Deep Learning concepts.

For running psychology and neuroscience experiments

Operate and manipulate physical quantities in Python

a python package for the interfacial analysis of molecular simulations

VAPOR is the Visualization and Analysis Platform for Ocean, Atmosphere, and Solar Researchers

A collection of scripts and notes related to genomics and bioinformatics

The main repository for the development of the evolution game Thrive.

silx toolkit

A curated list of science- and engineering related repositories on GitHub and in neighboring counties

A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD

A Python library implementing the Data Access Protocol (DAP, aka OPeNDAP or DODS).

LOOS: a lightweight object-oriented structure analysis library

Short names, big time savings – a collection of commands for the git operations you perform most often

Monte Carlo and Molecular Dynamics Simulation Package

Database of optical constants

A computer algebra system written in pure Python

Models of COVID-19 outbreak trajectories and hospital demand

Real-time position tracker for behavioral research

UXF - Framework for creating human behaviour experiments in Unity

Public development project of the LAMMPS MD software package

An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.

For finding, sharing and exchanging Data, Models, Simulations and Processes in Science.

Performance Software for Cyclists, Runners, Triathletes and Coaches

Unsupervised learning of atomic scale dynamics from molecular dynamics.

A Django app for managing scientific publications.

Qball (also known as [email protected]) is a first-principles molecular dynamics code that is used to compute the electronic structure of atoms, molecules, solids, and liquids within the Density Functional Theory (DFT) formalism. It is a fork of the Qbox code by Francois Gygi.

Renders papers from arXiv as responsive web pages so you don't have to squint at a PDF.

Machine learning. Clustering by fast search and find of density peaks.

End-To-End Molecular Dynamics (MD) Engine using PyTorch

Python+Numpy+OpenGL: fast, scalable and beautiful scientific visualization

Open-source library for analyzing the results produced by ABINIT

A CUDA project for Molecular Dynamics, Brownian Dynamics, Hydrodynamics... intended to simulate a very generic system constructing a simulation with modules.

Open-source software for volunteer computing and grid computing.

The core source repository for the Cherab project.

🌈Scaffold genome sequence assemblies using linked read sequencing data

This project contains instructions to deploy the Global Azure Bootcamp 2019 Science Lab

Collective variables module for molecular simulation and analysis programs

Matrix laboratory

[email protected] COVID-19 efforts

🚀 Provides equations in latex format from arxiv paper.

Tools for MRI mouse brain morphometry

An easy framework for drafting scientific documents: Write (Markdown), Compile (PDF, Word, HTML), Share.

Provides a new artist for matplotlib to display a scale bar, aka micron bar.

Code for the paper "BIOLITMAP: a web-based geolocated and temporal visualization of the evolution of bioinformatics publications" in Oxford Bioinformatics.

An open-source internal ballistics simulator for rocket motor experimenters

Ember front-end for the Open Science Framework