|
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) |
|
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) |
|
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) |
|
dl_poly-git
|
r60.f2712ca-2 |
0 |
0.00
|
General purpose molecular dynamics simulation package |
IslandC0der
|
2022-04-28 19:41 (UTC) |
|
dseams
|
1.0.1-1 |
0 |
0.00
|
Deferred Structural Elucidation Analysis for Molecular Simulations |
orphan
|
2020-12-02 01:33 (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) |
|
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) |
|
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) |
|
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) |
|
gemmi
|
0.6.4-3 |
0 |
0.00
|
Macromolecular crystallography library and utilities |
Athemis
|
2024-01-26 12:58 (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) |
|
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) |
|
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) |
|
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) |
|
mmdb2
|
2.0.22-1 |
0 |
0.00
|
A C++ toolkit for working with macromolecular coordinate files |
Athemis
|
2023-02-14 14:24 (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) |
|
mopac
|
22.0.6-1 |
0 |
0.00
|
Molecular Orbital PACkage |
Tenshi65535
|
2022-12-24 02:24 (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) |
|
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) |
|
openmm
|
8.0.0-1 |
0 |
0.00
|
Toolkit for molecular simulation using high performance GPU code |
hseara
|
2023-05-17 13:53 (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) |
|
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) |
|
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-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-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-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
|
1.34.0-1 |
0 |
0.00
|
AIMS : Absolute Assignment of Breast Cancer Intrinsic Molecular Subtype |
BioArchLinuxBot
|
2023-10-25 23:11 (UTC) |
|
r-cancerclass
|
1.46.0-2 |
0 |
0.00
|
Development and validation of diagnostic tests from high-dimensional molecular data |
BioArchLinuxBot
|
2024-04-14 18:07 (UTC) |
|
r-mdp
|
1.22.0-1 |
0 |
0.00
|
Molecular Degree of Perturbation calculates scores for transcriptome data samples based on their perturbation from controls |
BioArchLinuxBot
|
2023-10-25 20:48 (UTC) |
|
r-mosbi
|
1.8.0-3 |
0 |
0.00
|
Molecular Signature identification using Biclustering |
BioArchLinuxBot
|
2024-02-08 12:17 (UTC) |
|
r-msigdb
|
1.10.0-1 |
0 |
0.00
|
An ExperimentHub Package for the Molecular Signatures Database (MSigDB) |
BioArchLinuxBot
|
2023-10-27 05:32 (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
|
1.70.0-1 |
0 |
0.00
|
Render molecular pathways |
BioArchLinuxBot
|
2023-10-26 04:14 (UTC) |
|
r-qpgraph
|
2.36.0-1 |
0 |
0.00
|
Estimation of genetic and molecular regulatory networks from high-throughput genomics data |
BioArchLinuxBot
|
2023-10-27 10:47 (UTC) |
|
r-rcellminer
|
2.24.0-1 |
0 |
0.00
|
rcellminer: Molecular Profiles, Drug Response, and Chemical Structures for the NCI-60 Cell Lines |
BioArchLinuxBot
|
2023-10-26 00:52 (UTC) |
|
r-rcellminerdata
|
2.24.0-2 |
0 |
0.00
|
Molecular Profiles and Drug Response for the NCI-60 Cell Lines |
BioArchLinuxBot
|
2024-04-18 18:38 (UTC) |
|
r-rcpi
|
1.38.0-3 |
0 |
0.00
|
Molecular Informatics Toolkit for Compound-Protein Interaction in Drug Discovery |
BioArchLinuxBot
|
2023-10-27 05:11 (UTC) |
|
r-stattarget
|
1.32.0-1 |
0 |
0.00
|
Statistical Analysis of Molecular Profiles |
BioArchLinuxBot
|
2023-10-25 22:08 (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
|
1.42.0-1 |
0 |
0.00
|
Search and visualize intramolecular triplex-forming sequences in DNA |
BioArchLinuxBot
|
2023-10-26 03:06 (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) |
|
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) |
|
yaehmop
|
3.1.0b2-4 |
0 |
0.00
|
Yet Another extended Huckel Molecular Orbital Package (YAeHMOP) |
lantw44
|
2021-04-10 17:53 (UTC) |