|
vmd-src
|
1.9.4a57-4 |
2 |
0.00
|
Visual Molecular Dynamics |
a.kudelin
|
2024-04-29 18:29 (UTC) |
|
molsketch
|
0.8.1-1 |
1 |
0.00
|
A 2D molecular editing tool |
a.kudelin
|
2024-04-29 18:01 (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) |
|
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-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) |
|
pymol-git
|
r5647.071998658-1 |
1 |
0.00
|
Molecular visualization system on an Open Source foundation |
brisvag
|
2024-04-10 11:40 (UTC) |
|
chimerax
|
1.7-2 |
2 |
0.75
|
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) |
|
lammps-git
|
38442.b620c52-1 |
1 |
0.00
|
Large-scale Atomic/Molecular Massively Parallel Simulator |
yuhldr
|
2024-03-19 03:09 (UTC) |
|
python-pyberny
|
0.6.3-1 |
0 |
0.00
|
Molecular/crystal structure optimizer |
AnnaBruenisholz
|
2024-03-18 09:16 (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) |
|
molden
|
7.3-3 |
7 |
0.06
|
A program for molecular and electronic structure visualization |
banana-bred
|
2024-03-08 17:18 (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) |
|
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) |
|
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) |
|
avogadroapp
|
1.99.0-2 |
7 |
0.14
|
An advanced molecular editor |
malacology
|
2024-02-12 17:24 (UTC) |
|
r-mosbi
|
1.8.0-3 |
0 |
0.00
|
Molecular Signature identification using Biclustering |
BioArchLinuxBot
|
2024-02-08 12:17 (UTC) |
|
gamess
|
2023R2-1 |
3 |
0.00
|
The General Atomic and Molecular Electronic Structure System |
a.kudelin
|
2024-01-27 10:08 (UTC) |
|
gemmi
|
0.6.4-3 |
0 |
0.00
|
Macromolecular crystallography library and utilities |
Athemis
|
2024-01-26 12:58 (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) |
|
python-molmass
|
2023.8.30-1 |
0 |
0.00
|
Molecular mass calculations |
dviktor
|
2024-01-14 15:10 (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) |
|
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-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-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-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) |
|
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) |
|
r-pathrender
|
1.70.0-1 |
0 |
0.00
|
Render molecular pathways |
BioArchLinuxBot
|
2023-10-26 04:14 (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-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-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-stattarget
|
1.32.0-1 |
0 |
0.00
|
Statistical Analysis of Molecular Profiles |
BioArchLinuxBot
|
2023-10-25 22:08 (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) |
|
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) |
|
lammps
|
20230802-1 |
12 |
0.01
|
Large-scale Atomic/Molecular Massively Parallel Simulator |
fromtheeast710
|
2023-08-13 17:50 (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) |
|
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) |
|
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) |
|
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) |
|
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) |
|
vmd
|
1.9.4a57-1 |
20 |
0.00
|
Visual Molecular Dynamics (official binary build) |
berquist
|
2023-06-10 01:50 (UTC) |
|
ambertools
|
23.00-1 |
2 |
0.00
|
Biomolecular simulation package (tools only) |
yitzi
|
2023-06-01 14:47 (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) |
|
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) |
|
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) |
|
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-nglviewer
|
1.3.1-1 |
0 |
0.00
|
Interactive 3D Visualization of Molecular Structures |
BioArchLinuxBot
|
2023-04-29 04:46 (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) |
|
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) |