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Open Source Software - cdk  cdk

The Chemistry Development Kit (CDK) is a Java library for bio- and chemoInformatics and computational chemistry. It is the basis of other projects lik...

Open Source Software - apbs  apbs

APBS is a software package for the numerical solution of the Poisson-Boltzmann equation, a popular continuum model for describing electrostatic intera...

Open Source Software - pysces  pysces

Pysces is the Python Simulator of Cellular Systems. For a network of coupled reactions it does a stoichiometric matrix analysis, calculates the time c...

Open Source Software - joelib  joelib

JOELib/JOELib2 is a cheminformatics library which supports SMARTS substructure search, descriptor calculation, processing/filtering pipes, conversion ...

Open Source Software - cuemol  cuemol

CueMol - Molecular Visualization Framework

Open Source Software - protomol  protomol

ProtoMol is an object-oriented component based framework for molecular dynamics simulations.

Open Source Software - rastop  rastop

RasTop is a molecular graphics program intended for the visualisation of proteins, nucleic acids and small molecules based on the popular Rasmol soft...

Open Source Software - jchempaint  jchempaint

JChemPaint is a Java program for drawing 2D chemical structures like those found in most chemistry textbooks. It is based on the Chemistry Development...

Open Source Software - hysss  hysss

Hy3S uses advanced MPI parallelized hybrid stochastic simulation methods to quickly compute the dynamics of biochemical networks with thousands of spe...

Open Source Software - mesord  mesord

MesoRD is a stochastic and deterministic simulator of coupled chemical reactions and diffusions in space.

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