plumed
|
2.9.0-1 |
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
|
2024-05-02 10:22 (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) |
psi3-bin
|
3.4.0.6-3 |
0 |
0.00
|
An open-source program for computing molecular properties using high-accuracy, ab initio, quantum mechanical models. (Debian binary build) |
berquist
|
2023-06-24 18:49 (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
|
r5647.071998658-1 |
1 |
0.00
|
Molecular visualization system on an Open Source foundation |
brisvag
|
2024-04-10 11:40 (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) |
python-gemmi
|
0.6.5-1 |
0 |
0.00
|
macromolecular crystallography library (Python bindings) |
exyi
|
2024-05-07 13:55 (UTC) |
python-mdanalysis
|
2.7.0-1 |
1 |
0.00
|
An object-oriented python toolkit to analyze molecular dynamics trajectories generated by CHARMM, Gromacs, NAMD, LAMMPS, or Amber. |
hseara
|
2024-05-03 12:59 (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-mmtf
|
1.1.3-1 |
0 |
0.00
|
The macromolecular transmission format (MMTF) is a binary encoding of biological structures. |
hseara
|
2024-05-03 13:15 (UTC) |
python-molmass
|
2023.8.30-1 |
0 |
0.00
|
Molecular mass calculations |
dviktor
|
2024-01-14 15:10 (UTC) |
python-morfeus-ml
|
0.7.2-1 |
0 |
0.00
|
A Python package for calculating molecular features |
AnnaBruenisholz
|
2024-03-18 09:02 (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-pyberny
|
0.6.3-1 |
0 |
0.00
|
Molecular/crystal structure optimizer |
AnnaBruenisholz
|
2024-03-18 09:16 (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) |
r-aims
|
1.36.0-1 |
0 |
0.00
|
AIMS : Absolute Assignment of Breast Cancer Intrinsic Molecular Subtype |
BioArchLinuxBot
|
2024-05-01 18:08 (UTC) |
r-cancerclass
|
1.48.0-1 |
0 |
0.00
|
Development and validation of diagnostic tests from high-dimensional molecular data |
BioArchLinuxBot
|
2024-05-02 12:28 (UTC) |
r-mdp
|
1.24.0-1 |
0 |
0.00
|
Molecular Degree of Perturbation calculates scores for transcriptome data samples based on their perturbation from controls |
BioArchLinuxBot
|
2024-05-01 20:30 (UTC) |
r-mosbi
|
1.10.0-1 |
0 |
0.00
|
Molecular Signature identification using Biclustering |
BioArchLinuxBot
|
2024-05-02 13:05 (UTC) |
r-msigdb
|
1.12.0-1 |
0 |
0.00
|
An ExperimentHub Package for the Molecular Signatures Database (MSigDB) |
BioArchLinuxBot
|
2024-05-03 12:27 (UTC) |
r-nglviewer
|
1.3.1-1 |
0 |
0.00
|
Interactive 3D Visualization of Molecular Structures |
BioArchLinuxBot
|
2023-04-29 04:46 (UTC) |
r-pathrender
|
1.72.0-1 |
0 |
0.00
|
Render molecular pathways |
BioArchLinuxBot
|
2024-05-02 01:29 (UTC) |
r-qpgraph
|
2.38.0-1 |
0 |
0.00
|
Estimation of genetic and molecular regulatory networks from high-throughput genomics data |
BioArchLinuxBot
|
2024-05-03 12:14 (UTC) |
r-rcellminer
|
2.26.0-1 |
0 |
0.00
|
rcellminer: Molecular Profiles, Drug Response, and Chemical Structures for the NCI-60 Cell Lines |
BioArchLinuxBot
|
2024-05-01 20:35 (UTC) |
r-rcellminerdata
|
2.26.0-1 |
0 |
0.00
|
Molecular Profiles and Drug Response for the NCI-60 Cell Lines |
BioArchLinuxBot
|
2024-05-04 00:48 (UTC) |
r-rcpi
|
1.40.0-1 |
0 |
0.00
|
Molecular Informatics Toolkit for Compound-Protein Interaction in Drug Discovery |
BioArchLinuxBot
|
2024-05-08 18:10 (UTC) |
r-stattarget
|
1.34.0-1 |
0 |
0.00
|
Statistical Analysis of Molecular Profiles |
BioArchLinuxBot
|
2024-05-01 23:03 (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) |
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-triplex
|
1.44.0-1 |
0 |
0.00
|
Search and visualize intramolecular triplex-forming sequences in DNA |
BioArchLinuxBot
|
2024-05-02 00:16 (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) |
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) |
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) |
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) |
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) |
ucsf-chimera
|
1.17.3-1 |
15 |
0.00
|
Extensible molecular modeling system |
Athemis
|
2024-04-30 12:39 (UTC) |
vmd
|
1.9.4a57-1 |
20 |
0.00
|
Visual Molecular Dynamics (official binary build) |
berquist
|
2023-06-10 01:50 (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) |
vmd-molfile-plugins
|
1.9.4a55-1 |
0 |
0.00
|
Visual Molecular Dynamics - molfile plugins |
orphan
|
2022-01-21 05:59 (UTC) |
vmd-src
|
1.9.4a57-4 |
2 |
0.00
|
Visual Molecular Dynamics |
a.kudelin
|
2024-04-29 18:29 (UTC) |
xcrysden
|
1.6.2-2 |
6 |
0.00
|
crystalline and molecular structure visualisation program |
specter119
|
2020-06-03 08:59 (UTC) |
yaehmop
|
3.1.0b2-4 |
0 |
0.00
|
Yet Another extended Huckel Molecular Orbital Package (YAeHMOP) |
lantw44
|
2021-04-10 17:53 (UTC) |