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) |
vmd
|
1.9.4a57-1 |
20 |
0.00
|
Visual Molecular Dynamics (official binary build) |
berquist
|
2023-06-10 01:50 (UTC) |
emboss
|
6.6.0-3 |
20 |
0.00
|
A collection of molecular biology applications |
mschu
|
2020-05-11 20:54 (UTC) |
ucsf-chimera
|
1.16-1 |
15 |
0.00
|
Extensible molecular modeling system |
Athemis
|
2022-03-14 11:11 (UTC) |
lammps
|
20230802-1 |
12 |
0.01
|
Large-scale Atomic/Molecular Massively Parallel Simulator |
fromtheeast710
|
2023-08-13 17:50 (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) |
molden
|
7.3-3 |
7 |
0.07
|
A program for molecular and electronic structure visualization |
banana-bred
|
2024-03-08 17:18 (UTC) |
avogadroapp
|
1.99.0-2 |
7 |
0.18
|
An advanced molecular editor |
malacology
|
2024-02-12 17:24 (UTC) |
xcrysden
|
1.6.2-2 |
6 |
0.00
|
crystalline and molecular structure visualisation program |
specter119
|
2020-06-03 08:59 (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) |
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) |
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) |
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) |
garlic
|
1.6-13 |
3 |
0.00
|
Molecular visualization program |
malacology
|
2023-04-04 19:03 (UTC) |
gamess
|
2023R2-1 |
3 |
0.00
|
The General Atomic and Molecular Electronic Structure System |
a.kudelin
|
2024-01-27 10:08 (UTC) |
apbs
|
3.4.1-2 |
3 |
0.00
|
Software for biomolecular electrostatics and solvation calculations |
willemsk
|
2022-12-01 08:45 (UTC) |
vmd-src
|
1.9.4a57-3 |
2 |
0.00
|
Visual Molecular Dynamics |
a.kudelin
|
2023-06-01 08:51 (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) |
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) |
namd
|
2.14-3 |
2 |
0.00
|
Scalable molecular dynamic engine |
orphan
|
2020-10-02 17:06 (UTC) |
megax-bin
|
10.2.6-1 |
2 |
0.43
|
Molecular Evolutionary Genetics Analysis |
malacology
|
2021-06-12 01:37 (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) |
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) |
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) |
chimerax
|
1.7-2 |
2 |
0.87
|
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) |
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) |
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) |
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) |
pymol-git
|
r5647.071998658-1 |
1 |
0.00
|
Molecular visualization system on an Open Source foundation |
brisvag
|
2024-04-10 11:40 (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) |
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) |
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) |
molsketch
|
0.8.0-1 |
1 |
0.00
|
A 2D molecular editing tool |
a.kudelin
|
2023-10-21 21:08 (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) |
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) |
lammps-git
|
38442.b620c52-1 |
1 |
0.00
|
Large-scale Atomic/Molecular Massively Parallel Simulator |
yuhldr
|
2024-03-19 03:09 (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) |
iboview
|
20150427-1 |
1 |
0.02
|
A program for analyzing molecular electronic structure, based on Intrinsic Atomic Orbitals (IAOs). |
orphan
|
2020-09-26 13:50 (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) |
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) |
yaehmop
|
3.1.0b2-4 |
0 |
0.00
|
Yet Another extended Huckel Molecular Orbital Package (YAeHMOP) |
lantw44
|
2021-04-10 17:53 (UTC) |
vmd-molfile-plugins
|
1.9.4a55-1 |
0 |
0.00
|
Visual Molecular Dynamics - molfile plugins |
orphan
|
2022-01-21 05:59 (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) |
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) |
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) |
smoldyn
|
2.71-1 |
0 |
0.00
|
particle-based biochemical simulator for modeling molecular diffusion, surface interactions, and chemical reactions |
orphan
|
2023-06-28 22:01 (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) |