91 packages found. Page 1 of 2.

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Name Version Votes Popularity? Description Maintainer Last Updated
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)
tachyon-opengl 0.99b6-3 0 0.00 Parallel ray tracer (used as part of Visual Molecular Dynamics), OpenGL-enabled orphan 2016-02-17 21:30 (UTC)
libmsym-git 0.2.3.r190.c994703-1 6 0.00 A library for handling molecular point group symmetry, with a Python interface (git version) berquist 2018-04-06 18:34 (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)
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)
espressomd-git 3.4.dev.r13633.ff32b09e5-1 0 0.00 ESPResSo is a software package for performing and analyzing Molecular Dynamics simulations. orphan 2019-09-07 20:20 (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)
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)
openbabel2 2.4.1-1 0 0.00 A library designed to interconvert between many file formats used in molecular modeling and computational chemistry (libs only) orphan 2020-02-14 15:11 (UTC)
iqmol 2.14-1 1 0.00 A molecular editor and visualization package with Q-Chem integration berquist 2020-03-22 17:24 (UTC)
openbabel-git 3.0.90.r5774.686ee22f2-1 2 0.00 A library designed to interconvert between many file formats used in molecular modeling and computational chemistry (git version, builds Python bindings) berquist 2020-03-22 18:02 (UTC)
emboss 6.6.0-3 20 0.00 A collection of molecular biology applications mschu 2020-05-11 20:54 (UTC)
xcrysden 1.6.2-2 6 0.00 crystalline and molecular structure visualisation program specter119 2020-06-03 08:59 (UTC)
dseams-git 1.0.0.r14.g333cc82-1 1 0.00 Deferred Structural Elucidation Analysis for Molecular Simulations orphan 2020-06-20 16:40 (UTC)
iboview 20150427-1 1 0.01 A program for analyzing molecular electronic structure, based on Intrinsic Atomic Orbitals (IAOs). orphan 2020-09-26 13:50 (UTC)
namd 2.14-3 2 0.00 Scalable molecular dynamic engine orphan 2020-10-02 17:06 (UTC)
mingw-w64-pteros 2.8.r125.g16923940-1 0 0.00 C++ library for molecular modeling. (mingw-w64) orphan 2020-11-14 23:55 (UTC)
dseams 1.0.1-1 0 0.00 Deferred Structural Elucidation Analysis for Molecular Simulations orphan 2020-12-02 01:33 (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)
blender-plugin-molecular 1.1.1_r249.e4ef6a2-2 2 0.00 Blender addon for advance particle physics, multithreaded. bartus 2021-01-12 18:44 (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)
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)
pteros 2.8.r144.g2965c2b0-1 0 0.00 C++ library for molecular modeling. burning_daylight 2021-03-24 13:34 (UTC)
yaehmop 3.1.0b2-4 0 0.00 Yet Another extended Huckel Molecular Orbital Package (YAeHMOP) lantw44 2021-04-10 17:53 (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)
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)
megax-bin 10.2.6-1 2 0.32 Molecular Evolutionary Genetics Analysis malacology 2021-06-12 01:37 (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)
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)
vmd-molfile-plugins 1.9.4a55-1 0 0.00 Visual Molecular Dynamics - molfile plugins orphan 2022-01-21 05:59 (UTC)
ucsf-chimera 1.16-1 15 0.00 Extensible molecular modeling system Athemis 2022-03-14 11:11 (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)
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)
dl_poly-git r60.f2712ca-2 0 0.00 General purpose molecular dynamics simulation package IslandC0der 2022-04-28 19:41 (UTC)
python-chemview-git 0.7.r10.g2c9768d-1 0 0.00 An interactive molecular viewer for the IPython notebook (git version) orphan 2022-07-30 18:33 (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)
apbs 3.4.1-2 3 0.00 Software for biomolecular electrostatics and solvation calculations willemsk 2022-12-01 08:45 (UTC)
mopac 22.0.6-1 0 0.00 Molecular Orbital PACkage Tenshi65535 2022-12-24 02:24 (UTC)
mmdb2 2.0.22-1 0 0.00 A C++ toolkit for working with macromolecular coordinate files Athemis 2023-02-14 14:24 (UTC)
garlic 1.6-13 3 0.00 Molecular visualization program malacology 2023-04-04 19:03 (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)
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)
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)
r-nglviewer 1.3.1-1 0 0.00 Interactive 3D Visualization of Molecular Structures BioArchLinuxBot 2023-04-29 04:46 (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)
openmm 8.0.0-1 0 0.00 Toolkit for molecular simulation using high performance GPU code hseara 2023-05-17 13:53 (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)
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)
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)
vmd-src 1.9.4a57-3 2 0.00 Visual Molecular Dynamics a.kudelin 2023-06-01 08:51 (UTC)

91 packages found. Page 1 of 2.

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