|
dseams
|
1.0.1-1 |
0 |
0.00
|
Deferred Structural Elucidation Analysis for Molecular Simulations |
orphan
|
2020-12-02 01:33 (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) |
|
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) |
|
iboview
|
20150427-1 |
1 |
0.01
|
A program for analyzing molecular electronic structure, based on Intrinsic Atomic Orbitals (IAOs). |
orphan
|
2020-09-26 13:50 (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) |
|
namd
|
2.14-3 |
2 |
0.00
|
Scalable molecular dynamic engine |
orphan
|
2020-10-02 17:06 (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) |
|
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) |
|
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) |
|
vmd-molfile-plugins
|
1.9.4a55-1 |
0 |
0.00
|
Visual Molecular Dynamics - molfile plugins |
orphan
|
2022-01-21 05:59 (UTC) |
|
gamess
|
2023R2-1 |
3 |
0.00
|
The General Atomic and Molecular Electronic Structure System |
a.kudelin
|
2024-01-27 10:08 (UTC) |
|
molsketch
|
0.8.0-1 |
1 |
0.00
|
A 2D molecular editing tool |
a.kudelin
|
2023-10-21 21:08 (UTC) |
|
vmd-src
|
1.9.4a57-3 |
2 |
0.00
|
Visual Molecular Dynamics |
a.kudelin
|
2023-06-01 08:51 (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) |
|
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) |
|
gemmi
|
0.6.4-3 |
0 |
0.00
|
Macromolecular crystallography library and utilities |
Athemis
|
2024-01-26 12:58 (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) |
|
ucsf-chimera
|
1.16-1 |
15 |
0.00
|
Extensible molecular modeling system |
Athemis
|
2022-03-14 11:11 (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) |
|
molden
|
7.3-3 |
7 |
0.06
|
A program for molecular and electronic structure visualization |
banana-bred
|
2024-03-08 17:18 (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) |
|
iqmol
|
2.14-1 |
1 |
0.00
|
A molecular editor and visualization package with Q-Chem integration |
berquist
|
2020-03-22 17:24 (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) |
|
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) |
|
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) |
|
vmd
|
1.9.4a57-1 |
20 |
0.00
|
Visual Molecular Dynamics (official binary build) |
berquist
|
2023-06-10 01:50 (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) |
|
pymol-git
|
r5647.071998658-1 |
1 |
0.00
|
Molecular visualization system on an Open Source foundation |
brisvag
|
2024-04-10 11:40 (UTC) |
|
pteros
|
2.8.r144.g2965c2b0-1 |
0 |
0.00
|
C++ library for molecular modeling. |
burning_daylight
|
2021-03-24 13:34 (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) |
|
python-molmass
|
2023.8.30-1 |
0 |
0.00
|
Molecular mass calculations |
dviktor
|
2024-01-14 15:10 (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) |
|
lammps
|
20230802-1 |
12 |
0.01
|
Large-scale Atomic/Molecular Massively Parallel Simulator |
fromtheeast710
|
2023-08-13 17:50 (UTC) |