Projects within Chemistry

  • BKchem

    - Chemical drawing program

  • Biskit

    - a python library for structural bioinformatics research.

  • E-CELL Simulation Environment

    - Software for cellular and biochemical modeling and simulation

  • EMAN

    - 3D particle reconstruction package

  • Fityk

    - Non-linear curve fitting and data analysis

  • GAMGI

    - A program to build, view, and analyze atomic strucures.

  • GDIS

    - Software to display and manipulate isolated molecules and periodic systems

  • GPeriodic

    - Periodic table application

  • GROMACS

    - Simulates molecular dynamics

  • Gabedit

    - gui for computational chemistry packages

  • GenChemLab

    - Simulates general chemistry laboratory exercises

  • Ghemical

    - Molecular modelling application

  • Jmol

    - Molecule viewer and editor

  • Kci

    - Simulates chemical reactions

  • Lamprop

    - Calculates properties of fiber-reinforced composite laminates

  • MayaChemTools

    - MayaChemTools is a growing collection of Perl scripts to support day-to-day computational discovery needs.

  • Melting

    - Nearest-neighbor compilation of nucleic acid hybridation

  • OpenBabel

    - Translates chemical file formats and data

  • XDrawChem

    - Program to draw chemical structures

  • Xem

    - Program to calculate Ph balance

  • Xmakemol

    - Program for visualizing atomic and molecular systems

  • chemtool

    - Chemical structure editor

  • gElemental

    - A periodic table viewer.

  • gdpc

    - Visualizes molecular simulation

  • polyxmass

    - Mass spectrometric framework for simulation and analysis of mass spectrometric data of (bio-)polymers
 
 

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