Description:
Gabedit is a graphical user interface for computational chemistry software. It simplifies the process of setting up and analyzing molecular calculations, making quantum chemistry accessible and user-friendly.
InvisibleJim
Open Babel
Description:
Open Babel is a chemical toolbox for data conversion, analysis, and storage in molecular modeling, chemistry, and biochemistry, supporting over 110 file formats and molecular modeling tools.
Jmol
Description:
Jmol is an open-source 3D viewer for chemical structures, molecules, and materials. It provides visualization and analysis tools for scientists, students, and educators. The software is available through SourceForge and is used worldwide in research and education for molecular modeling.
Kalzium
Description:
Kalzium is an educational program that displays the Periodic Table of Elements, offering data search, isotope visualization, spectral lines, and tools for molecular visualization and stoichiometry. It’s designed for learning and exploring chemistry facts.
ORAC!
Description:
ORAC! is an open-source molecular dynamics engine for simulating solvated biomolecules, supporting advanced sampling techniques and parallel architectures. It offers a range of features including generalized ensemble simulations, replica exchange, and metadynamics, primarily targeted at atomistic level biomolecular research.
Massively Parallel Quantum Chemistry Program (MPQC)
Description:
MPQC is an open-source platform for ab initio electronic structure simulations using many-body methods, optimized for massively parallel computing environments. It features a tensor framework, distributed task programming, and quantum chemistry libraries, with comprehensive documentation and open licensing.
JChemPaint
Description:
JChemPaint is a free, open-source molecule editor and viewer for chemical structures, utilizing 2D computer graphics. It is developed as a part of a project to provide chemical structure editing capabilities.
MDynaMix
Description:
MDynaMix is a general-purpose molecular dynamics program for simulating molecular mixtures, supporting rigid and flexible molecules, various ensemble simulations, Ewald summation for electrostatics, quantum effects, and parallel execution.
chemcanvas
Description:
ChemCanvas is an open-source, user-friendly 2D chemical structure drawing tool supporting various file formats, customizable bonds, and atom coloring. It enables easy creation and export of organic chemical structures and reactions, making it ideal for chemists and students.
vLLM
Description:
VLLM is an open-source toolkit designed to facilitate large language model deployment and development. The project aims to provide efficient, scalable, and accessible tools for working with large language models, including features for inference, management, and customization.