92 packages found. Page 1 of 2.

1 2 Next › Last »

Name Version Votes Popularity? Description Maintainer Last Updated
avogadro2-bin 1.99.0-2 0 0.00 An advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. zxp19821005 2024-03-08 07:46 (UTC)
lammps-git 38442.b620c52-1 1 0.00 Large-scale Atomic/Molecular Massively Parallel Simulator yuhldr 2024-03-19 03:09 (UTC)
ambertools 23.00-1 2 0.00 Biomolecular simulation package (tools only) yitzi 2023-06-01 14:47 (UTC)
python-pdb2pqr 3.6.2-1 1 0.00 Automates many of the common tasks of preparing structures for continuum solvation calculations as well as many other types of biomolecular structure modeling, analysis, and simulation. willemsk 2024-01-10 16:03 (UTC)
namd-multicore-cuda-bin 2.14-1 1 0.00 Parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. willemsk 2021-02-10 09:03 (UTC)
apbs 3.4.1-2 3 0.00 Software for biomolecular electrostatics and solvation calculations willemsk 2022-12-01 08:45 (UTC)
vmd-bin 1.9.4a57-1 0 0.00 VMD is a molecular visualization program for displaying, animating, and analyzing large biomolecular systems using 3-D graphics and built-in scripting tzok 2023-04-17 07:12 (UTC)
chimerax 1.7-2 1 0.37 UCSF ChimeraX (or simply ChimeraX) is the next-generation molecular visualization program from the Resource for Biocomputing, Visualization, and Informatics (RBVI), following UCSF Chimera. tzok 2024-03-22 10:27 (UTC)
plumed-mpi 2.8.2-1 1 0.00 An open source plugin for free energy calculations in molecular systems which works together with some of the most popular molecular dynamics engines (with MPI support) Tenshi65535 2023-05-23 01:24 (UTC)
mopac 22.0.6-1 0 0.00 Molecular Orbital PACkage Tenshi65535 2022-12-24 02:24 (UTC)
xcrysden 1.6.2-2 6 0.00 crystalline and molecular structure visualisation program specter119 2020-06-03 08:59 (UTC)
molecular-workbench 3.0.0-4 0 0.00 Modeling tool for designing and conducting computational experiments across science. PrinceMachiavell 2019-12-13 21:28 (UTC)
cp2k-bin 2024.1-1 2 0.00 A quantum chemistry and solid state physics software package for atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems. (precompiled, OpenMP) petronny 2024-01-15 07:57 (UTC)
mgltools-bin 2015.01.22-2 0 0.00 Visualization and analysis of molecular structures; includes AutoDockTools, Vision, AutoDock 4.2.6 and PythonMoleculeViewer (includes Python 2.7) nicman23 2018-12-15 10:34 (UTC)
emboss 6.6.0-3 20 0.00 A collection of molecular biology applications mschu 2020-05-11 20:54 (UTC)
autodock-vina 1.2.5-1 6 0.00 A tool for drug discovery, molecular docking and virtual screening mschu 2023-07-10 12:04 (UTC)
tempest-bin 1.5.3-1 0 0.00 a tool for investigating the temporal signal and 'clocklikeness' of molecular phylogenies malacology 2021-05-27 05:31 (UTC)
seaview 5.0.5-8 11 0.00 GUI for multiple sequence alignment and molecular phylogeny. https://doi.org/10.1093/molbev/msp259 malacology 2022-09-03 01:59 (UTC)
phylosuite 1.2.3-2 0 0.00 an integrated and scalable desktop platform for streamlined molecular sequence data management and evolutionary phylogenetics studies. https://doi.org/10.1111/1755-0998.13096 malacology 2023-04-04 19:09 (UTC)
megax-bin 10.2.6-1 2 0.65 Molecular Evolutionary Genetics Analysis malacology 2021-06-12 01:37 (UTC)
mega 11.0.13-3 1 0.00 Molecular Evolutionary Genetics Analysis. https://doi.org/10.1093/molbev/msy096 malacology 2023-04-04 19:30 (UTC)
garlic 1.6-13 3 0.00 Molecular visualization program malacology 2023-04-04 19:03 (UTC)
garli 2.1-4 0 0.00 Phylogenetic analysis of molecular sequence data using the maximum-likelihood criterion malacology 2024-02-22 17:38 (UTC)
dambe 7-1 0 0.00 New and improved tools for data analysis in molecular biology and evolution malacology 2021-05-11 15:48 (UTC)
avogadroapp 1.99.0-2 7 0.28 An advanced molecular editor malacology 2024-02-12 17:24 (UTC)
rasmol-gtk 2.7.5.2-2 2 0.00 A program for molecular graphics visualisation (aka openrasmol) leepesjee 2015-12-03 00:48 (UTC)
yaehmop 3.1.0b2-4 0 0.00 Yet Another extended Huckel Molecular Orbital Package (YAeHMOP) lantw44 2021-04-10 17:53 (UTC)
qtltools 1.3.1-8 0 0.00 A complete tool set for molecular QTL discovery and analysis. https://doi.org/10.1038/ncomms15452 kbipinkumar 2023-08-28 06:07 (UTC)
packmol 1:20.3.5-1 1 0.00 Creates an initial point for molecular dynamics simulations by packing molecules in defined regions of space. IslandC0der 2022-04-17 00:48 (UTC)
katomic-git 24.04.70_r1148.g0bc541b-1 0 0.00 A fun and educational game built around molecular geometry IslandC0der 2024-03-01 06:38 (UTC)
fftool-git r175.0bf8a80-1 0 0.00 Tool to build force field input files for molecular simulation IslandC0der 2022-04-17 00:19 (UTC)
dl_poly-git r60.f2712ca-2 0 0.00 General purpose molecular dynamics simulation package IslandC0der 2022-04-28 19:41 (UTC)
python-mmtf 1.1.2-1 0 0.00 The macromolecular transmission format (MMTF) is a binary encoding of biological structures. hseara 2021-01-20 21:26 (UTC)
python-mdtraj 1.9.7-1 4 0.00 A modern, open library for the analysis of molecular dynamics trajectories hseara 2022-01-06 12:01 (UTC)
python-mdanalysis 2.6.1-1 1 0.00 An object-oriented python toolkit to analyze molecular dynamics trajectories generated by CHARMM, Gromacs, NAMD, LAMMPS, or Amber. hseara 2023-11-17 18:28 (UTC)
plumed 2.8.2-1 3 0.00 An open source plugin for free energy calculations in molecular systems which works together with some of the most popular molecular dynamics engines. hseara 2023-05-19 09:30 (UTC)
openmm 8.0.0-1 0 0.00 Toolkit for molecular simulation using high performance GPU code hseara 2023-05-17 13:53 (UTC)
gromacs-plumed 2022.5-1 2 0.00 GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. (Plumed patched) hseara 2023-05-19 10:08 (UTC)
gromacs-4.6-complete 4.6.7-7 1 0.00 A versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. hseara 2019-01-27 19:20 (UTC)
gromacs-2020-complete 2020.6-1 0 0.00 A versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. hseara 2021-09-01 10:29 (UTC)
gromacs 2023.2-1 24 0.00 A versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. hseara 2023-08-04 19:09 (UTC)
lammps 20230802-1 12 0.01 Large-scale Atomic/Molecular Massively Parallel Simulator fromtheeast710 2023-08-13 17:50 (UTC)
martinize-git v0.3.1.r8.2a50f80-1 1 0.00 Describe and apply transformation on molecular structures and topologies Ezmagon 2019-12-10 11:45 (UTC)
python-molmass 2023.8.30-1 0 0.00 Molecular mass calculations dviktor 2024-01-14 15:10 (UTC)
kim-api 2.2.1-1 2 0.00 Online framework for reliable, reproducible and portable molecular simulations dschopf 2020-12-29 08:54 (UTC)
pteros 2.8.r144.g2965c2b0-1 0 0.00 C++ library for molecular modeling. burning_daylight 2021-03-24 13:34 (UTC)
pymol-git r5639.ca185848f-1 1 0.00 Molecular visualization system on an Open Source foundation brisvag 2024-03-12 11:01 (UTC)
r-triplex 1.42.0-1 0 0.00 Search and visualize intramolecular triplex-forming sequences in DNA BioArchLinuxBot 2023-10-26 03:06 (UTC)
r-tnbc.cms 1.18.0-1 0 0.00 TNBC.CMS: Prediction of TNBC Consensus Molecular Subtypes BioArchLinuxBot 2023-10-30 18:33 (UTC)
r-tcgabiolinksgui 1.23.0-4 0 0.00 "TCGAbiolinksGUI: A Graphical User Interface to analyze cancer molecular and clinical data" BioArchLinuxBot 2023-04-29 07:09 (UTC)

92 packages found. Page 1 of 2.

1 2 Next › Last »