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

Powerful, efficient particle trajectory analysis in scientific Python.

GromacsWrapper is a python package that wraps system calls to Gromacs tools into thin classes. This allows for fairly seamless integration of the gromacs tools (v4.6.x, v5.x, 2016.x, 2018.x, 2019.x, all with the same Python code) into python scripts.

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

the simple alchemistry library

Molecular dynamics simulation software

A maintained extension collection for Inkscape 1.0+, working on Windows and Linux

Create beautiful and semantically meaningful articles with pandoc.

Repository for the allofplos project.

HOOMD-blue example scripts.

Javascript Pure Implementation of Statistical R "core" numerical libRmath.so

Java utilities for Bioinformatics

Make a Kepler orrery gif or movie of all the Kepler multi-planet systems

chemical graph theory library for JavaScript

cBioPortal for Cancer Genomics

Client for the Crossref API

poliastro - 🚀 Astrodynamics in Python

Execute and document benchmarks reproducibly.

An open source Python package for plasma science that is under development

A toolset for handwriting recognition

Use the sensors in your mobile devices to perform science experiments. Science doesn’t just happen in the classroom or lab—tools like Science Journal let you see how the world works with just your phone.

ControverSciences est un portail collaboratif qui rassemble les publications scientifiques autour de questions controversées, en les rendant accessible à tous.

SchNetPack - Deep Neural Networks for Atomistic Systems

‼️ 📄 🔍 an API and web interface to check if a paper has been retracted

🔬 Empirical CLI

A curated list of Python packages related to chemistry

An analysis and visualization platform for 'omics data

W A R N I N G: This is a previous proof of concept of CanAirIO device firmware over a TTGO T-Display board, but now it is only a old reference. The last stable version of CanAirIO device already have support for this board and many features more. Please use the official CanAirIO Firmware instead of this firmware. https://github.com/kike-canaries…

Multi-threaded Optimization Toolbox

The perfect sidekick to your scientific inquiries

Interactive Multiphysics Simulation for Everyone

快速中文分词分析word segmentation

OpenFLUID framework and applications

Plant image analysis using OpenCV

An Innovative Salient Object Detection Using Center-Dark Channel Prior

Brian is a free, open source simulator for spiking neural networks.

Rmarkdown for Scientists

curated list of awesome tools, tutorials and APIs for Copernicus Sentinel satellite data

🌈 Plot complex functions

Fast and smart citation reference parsing

In silico chemical library engine for high-accuracy chemical property prediction

An open library for the analysis of molecular dynamics trajectories

Atomic - Periodic Table

The futuristic, fabulous and free desktop app for working with scientific literature 🔬 📖

Source code for the publications on "a non-linear Granger-causality framework to investigate climate–vegetation dynamics", by Papagiannopoulou et al., GMD & ERL 2017

in progress pretty printing calculator language

ls1-MarDyn is a massively parallel Molecular Dynamics (MD) code for large systems. Its main target is the simulation of thermodynamics and nanofluidics. ls1-MarDyn is designed with a focus on performance and easy extensibility.

Effortless method to record provenance in Python

Cryptanalysis of Physically Unclonable Functions

Papers about deep learning ordered by task, date. Current state-of-the-art papers are labelled.

The 2nd Annual American Museum of Natural History Hackathon produced by the BridgeUP: STEM program

Data Science Notebook on a Classification Task, using sklearn and Tensorflow.

The main source repository for the Raysect project.

Scientific measurement library for instruments, experiments, and live-plotting

A package for designing compact and comprehensive capture probe sets.

Wrappers for LAPACK (Fortran)

SimTK OpenSim C++ libraries and command-line applications, and Java/Python wrapping.

Experimental code for loading/saving XArray DataArrays to Geographic Rasters using rasterio

Wrappers for BLAS (Fortran)

A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.

Python package providing some useful tools when dealing with molecules and materials under periodic boundary conditions and uniform grids. This is a mirror of https://gitlab.com/ales.genova/pbcpy