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) |
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) |
openmm
|
8.0.0-1 |
0 |
0.00
|
Toolkit for molecular simulation using high performance GPU code |
hseara
|
2023-05-17 13:53 (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) |
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-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) |
namd-multicore-bin
|
3.0b3-1 |
0 |
0.00
|
NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems |
orphan
|
2023-06-19 05:32 (UTC) |
namd
|
2.14-3 |
2 |
0.00
|
Scalable molecular dynamic engine |
orphan
|
2020-10-02 17:06 (UTC) |
mopac
|
22.0.6-1 |
0 |
0.00
|
Molecular Orbital PACkage |
Tenshi65535
|
2022-12-24 02:24 (UTC) |
molsketch
|
0.8.0-1 |
1 |
0.00
|
A 2D molecular editing tool |
a.kudelin
|
2023-10-21 21:08 (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) |
mmdb2
|
2.0.22-1 |
0 |
0.00
|
A C++ toolkit for working with macromolecular coordinate files |
Athemis
|
2023-02-14 14:24 (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) |
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) |
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) |
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) |
lammps-git
|
38442.b620c52-1 |
1 |
0.00
|
Large-scale Atomic/Molecular Massively Parallel Simulator |
yuhldr
|
2024-03-19 03:09 (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) |
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) |
iqmol
|
2.14-1 |
1 |
0.00
|
A molecular editor and visualization package with Q-Chem integration |
berquist
|
2020-03-22 17:24 (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) |
gemmi
|
0.6.4-3 |
0 |
0.00
|
Macromolecular crystallography library and utilities |
Athemis
|
2024-01-26 12:58 (UTC) |
gbtolib
|
3.0.3-2 |
0 |
0.00
|
A high-performance library for evaluation of molecular integrals |
banana-bred
|
2023-10-26 22:53 (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) |
gamess
|
2023R2-1 |
3 |
0.00
|
The General Atomic and Molecular Electronic Structure System |
a.kudelin
|
2024-01-27 10:08 (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) |
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) |
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) |
dseams
|
1.0.1-1 |
0 |
0.00
|
Deferred Structural Elucidation Analysis for Molecular Simulations |
orphan
|
2020-12-02 01:33 (UTC) |
dl_poly-git
|
r60.f2712ca-2 |
0 |
0.00
|
General purpose molecular dynamics simulation package |
IslandC0der
|
2022-04-28 19:41 (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) |
crest-bin
|
3.0-1 |
0 |
0.00
|
A program for the automated exploration of low-energy molecular chemical space |
AlexBocken
|
2024-04-19 07:02 (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) |
chemkit-builder-git
|
6-1 |
0 |
0.00
|
Lightweight molecular editor built using chemkit |
orphan
|
2015-08-01 16:02 (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) |
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) |
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) |
ambertools
|
23.00-1 |
2 |
0.00
|
Biomolecular simulation package (tools only) |
yitzi
|
2023-06-01 14:47 (UTC) |