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) |