DebiChem Project
Summary
A Debian Pure Blend is a Debian internal project which assembles a set of packages that might help users to solve certain tasks of their work. The list on the right shows the tasks of debichem.
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Debian stable behind unstable
Ubuntu behind Debian unstable
Waiting in NEW
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Unstable fits upstream
Unstable behind upstream

DebiChem Package Thermometer

Package stabletestingunstablestable-bpoexperimentalNEWUNRELEASEDupstreamtasks
abinit (PTS, VCS, UP) 9.2.2-19.6.1-19.6.1-19.6.1periodic-abinitio
aces3 (PTS, VCS, UP) 3.0.8-73.0.8-83.0.8-83.0.7molecular-abinitio
adun.app (PTS, VCS, UP) 0.81-140.81-140.81-140.No-Sitemolecular-dynamics visualisation
avogadro (PTS, VCS, UP) 1.93.0-21.95.1-11.95.1-21.95.1visualisation input-generation-output-processing molecular-modelling
bagel (PTS, VCS, UP) 1.2.2-21.2.2-21.2.2-2molecular-abinitio
ball (PTS, VCS, UP) 1.5.0+git20180813.37fc53c-61.5.0+git20180813.37fc53c-71.5.0+git20180813.37fc53c-71.5.0+git20180813.37fc53cinput-generation-output-processing visualisation molecular-modelling
biceps (VCS, UP) 0.0.201401-1analytical-biochemistry
bkchem (PTS, VCS, UP) 0.13.0-60.13.0view-edit-2d
c2x (PTS, VCS, UP) 2.35a+ds-12.40+ds-12.40+ds-12.40input-generation-output-processing
cclib (PTS, VCS, UP) 1.6.2-21.6.2-21.6.2-21.7.1visualisation input-generation-output-processing
cdk (PTS, VCS, UP) 2.3.134.g1bb9a64587-22.5-32.5-32.5cheminformatics
chemps2 (PTS, VCS, UP) 1.8.10-21.8.10-21.8.10-2molecular-abinitio
chemtool (PTS, VCS, UP) 1.6.14-61.6.14-61.6.14-61.6.14view-edit-2d
cp2k (PTS, VCS, UP) 8.1-98.1-98.1-98.2-18.2molecular-abinitio molecular-dynamics periodic-abinitio semiempirical
drawxtl (PTS, VCS, UP) 5.5-55.5-55.5-55.5visualisation crystallography
easychem (PTS, VCS, UP) 0.6-90.6-90.6-90.6view-edit-2d
elkcode (PTS, VCS, UP) 6.3.2-26.3.2-26.3.2-27.2.42-17.2.42molecular-abinitio
elpa (PTS, VCS, UP) 2019.11.001-42019.11.001-42019.11.001-4development
ergo (PTS, VCS, UP) 3.8-13.8-13.8-13.8molecular-abinitio
espresso (PTS, VCS, UP) 6.7-26.7-26.7-26.8periodic-abinitio
fftw3 (PTS, VCS, UP) 3.3.8-23.3.8-23.3.8-23.3.10development
gabedit (PTS, VCS, UP) 2.5.1~20200828-12.5.1+ds-12.5.1+ds-12.5.1input-generation-output-processing visualisation
galib (PTS, VCS, UP) 2.4.7-42.4.7-42.4.7-42.4.7development
gamgi (PTS, VCS, UP) 0.17.3-30.17.3-30.17.3-30.17.4crystallography visualisation
garlic (PTS, VCS, UP) 1.6-31.6-31.6-31.6visualisation
gausssum (PTS, VCS, UP) 3.0.2-23.0.2-23.0.2-23.0.2visualisation input-generation-output-processing
gdis (PTS, VCS, UP) 0.90-60.90-60.90-6visualisation
gdpc (PTS, VCS, UP) 2.2.5-142.2.5-152.2.5-150.No-Releasevisualisation
ghemical (PTS, VCS, UP) 3.0.0-53.0.0-53.0.0-53.0.0molecular-modelling
gnome-chemistry-utils (PTS, VCS, UP) 0.14.17-60.14.17-60.14.17-60.14.17view-edit-2d crystallography
gpaw (PTS, VCS, UP) 21.1.0-121.1.0-121.1.0-121.6.0periodic-abinitio
gromacs (PTS, VCS, UP) 2020.6-22021.3-32021.3-32022~beta1molecular-dynamics
indigo (PTS, VCS, UP) 1.2.3-3.11.2.3-3.11.2.3-3.1cheminformatics
isospec (PTS, VCS, UP) 2.1.3-12.1.3-12.1.3-1analytical-biochemistry
jmol (PTS, VCS, UP) 14.6.4+2016.11.05+dfsg1-414.30.2+dfsg-214.30.2+dfsg-214.30.2visualisation input-generation-output-processing
kalzium (PTS, VCS, UP) 20.12.0-121.08.0-121.08.0-121.08.2visualisation
lammps (PTS, VCS, UP) 20210122~gita77bb+ds1-220210122~gita77bb+ds1-220210122~gita77bb+ds1-2molecular-dynamics
lapack (PTS, VCS, UP) 3.9.0-33.10.0-13.10.0-13.10.0development
libint (PTS, VCS, UP) 1.2.1-61.2.1-61.2.1-6development
libint2 (PTS, VCS, UP) 2.6.0-132.6.0-132.6.0-13development
libmstoolkit (PTS, VCS, UP) 82-782-782-7analytical-biochemistry
libpwiz (PTS, VCS, UP) 3.0.18342-43.0.18342-43.0.18342-4analytical-biochemistry
libpwizlite (PTS, VCS, UP) 3.0.3-13.0.3-13.0.3-1analytical-biochemistry
libxc (PTS, VCS, UP) 4.3.4-24.3.4-24.3.4-25.1.6-15.1.6development
lutefisk (PTS, VCS, UP) 1.0.7+dfsg-71.0.7+dfsg-71.0.7+dfsg-71.0.7analytical-biochemistry
macromoleculebuilder (PTS, VCS, UP) 3.2+dfsg-23.2+dfsg-23.2+dfsg-23.2molecular-modelling
madness (PTS, VCS, UP) 0.10.1+git20200818.eee5fd9f-20.10.1+git20200818.eee5fd9f-20.10.1+git20200818.eee5fd9f-20.10development
massxpert (PTS, VCS, UP) 6.0.2-16.0.2-16.0.2-15.8.2analytical-biochemistry
minexpert2 (PTS, VCS, UP) 7.4.1-18.1.1-18.1.1-15.8.2analytical-biochemistry
molds (PTS, VCS, UP) 0.3.1-10.3.1-10.3.1-10.3.1semiempirical
mopac7 (PTS, VCS, UP) 1.15-61.15-61.15-61.15semiempirical
mpi-defaults (PTS, VCS, UP) 1.131.141.14development
mpqc (PTS, VCS, UP) 2.3.1-212.3.1-212.3.1-212.3.1development molecular-abinitio
mpqc3 (PTS, VCS, UP) 0.0~git20170114-4.1molecular-abinitio
nwchem (PTS, VCS, UP) 7.0.2-17.0.2-17.0.2-1periodic-abinitio molecular-abinitio molecular-dynamics
openbabel (PTS, VCS, UP) 3.1.1+dfsg-63.1.1+dfsg-63.1.1+dfsg-63.1.1cheminformatics
openchemlib (PTS, VCS, UP) 2021.2.0+dfsg-12021.10.0+dfsg-12021.10.0+dfsg-12021.10.1cheminformatics
openmm (PTS, VCS, UP) 7.5.0+dfsg-17.6.0+dfsg-17.6.0+dfsg-17.6.0development
openms (PTS, VCS, UP) 2.6.0+cleaned1-32.6.0+cleaned1-32.6.0+cleaned1-32.4.0-srcanalytical-biochemistry
openmx (PTS, VCS, UP) 3.8.5+dfsg1-13.9.9periodic-abinitio
openstructure (PTS, VCS, UP) 2.2.0-62.2.0-62.2.0-82.2.0molecular-modelling
opsin (PTS, VCS, UP) 2.5.0-12.5.0-12.5.0-12.5.0cheminformatics
osra (VCS, UP) 2.0.1-1view-edit-2d
psi4 (PTS, VCS, UP) 1.3.2+dfsg-21.3.2+dfsg-21.3.2+dfsg-21.4.1molecular-abinitio
psicode (PTS, VCS, UP) 3.4.0-63.4.0-63.4.0-63.4.0development molecular-abinitio
pycifrw (PTS, VCS, UP) 4.4-24.4-24.4-24.4input-generation-output-processing
pymol (PTS, VCS, UP) 2.4.0+dfsg-22.4.0+dfsg-32.4.0+dfsg-32.5.0molecular-modelling
python-ase (PTS, VCS, UP) 3.21.1-23.21.1-23.22.0-13.22.0input-generation-output-processing
python-fabio (PTS, VCS, UP) 0.11.0+dfsg-30.12.0+dfsg-20.12.0+dfsg-20.12.0crystallography
python-pymzml (PTS, VCS, UP) 2.4.7-32.4.7-32.4.7-3analytical-biochemistry
qutemol (PTS, VCS, UP) 0.4.1~cvs20081111-130.4.1~cvs20081111-140.4.1~cvs20081111-140.4visualisation
r-cran-maldiquant (PTS, VCS, UP) 1.19.3-21.20-11.20-11.20analytical-biochemistry
r-cran-maldiquantforeign (PTS, VCS, UP) 0.12-20.12-20.12-20.12analytical-biochemistry
r-cran-mixtools (PTS, VCS, UP) 1.2.0-11.2.0-11.2.0-11.2.0analytical-biochemistry
r-cran-readbrukerflexdata (PTS, VCS, UP) 1.8.5-31.8.5-31.8.5-31.8.5analytical-biochemistry
r-cran-readmzxmldata (PTS, VCS, UP) 2.8.1-42.8.1-42.8.1-42.8.1analytical-biochemistry
r-other-amsmercury (PTS, VCS, UP) 1.3.0-41.3.0-41.3.0-40.No-Siteanalytical-biochemistry
r-other-curvefdp (PTS, VCS, UP) 2.0-62.0-62.0-62.0analytical-biochemistry
r-other-iwrlars (PTS, VCS, UP) 0.9-5-40.9-5-40.9-5-40.No-Siteanalytical-biochemistry
r-other-nitpick (PTS, VCS, UP) 2.0-72.0-72.0-70.No-Siteanalytical-biochemistry
rasmol (PTS, VCS, UP) 2.7.6.0-22.7.6.0-22.7.6.0-22.7.6.0visualisation
raster3d (PTS, VCS, UP) 3.0-7-23.0-7-23.0-7-23.0-7visualisation
rdkit (PTS, VCS, UP) 202009.4-1202009.5-2202009.5-2202103.5cheminformatics
scalapack (PTS, VCS, UP) 2.1.0-42.1.0-42.1.0-42.1.0development
shelxle (PTS, VCS, UP) 1.0.1179-11.0.1320-11.0.1320-11.0.1330visualisation crystallography
spglib (PTS, VCS, UP) 1.16.1-11.16.2-11.16.2-11.16.2development
tandem-mass (PTS, VCS, UP) 201702011-1201702011-1201702011-12017.02.01.4.zipanalytical-biochemistry
tiledarray (PTS, VCS, UP) 0.6.0-5.2development
toppic (PTS, VCS, UP) 1.3.0+dfsg1-41.3.0+dfsg1-41.3.0+dfsg1-41.4.13analytical-biochemistry
travis (PTS, VCS, UP) 200504+hf2-1210521-1210521-1210521input-generation-output-processing
v-sim (PTS, VCS, UP) 3.7.2-83.7.2-83.7.2-8visualisation
viewmol (PTS, VCS, UP) 2.4.1-262.4.1input-generation-output-processing visualisation
votca-csg (PTS, VCS, UP) 1.6.4-12021.2-12021.2-12021.2molecular-dynamics
wannier90 (PTS, VCS, UP) 3.1.0+ds-43.1.0+ds-63.1.0+ds-63.1.0periodic-abinitio
xbs (PTS, VCS, UP) 0-100-110-11visualisation
xcrysden (PTS, VCS, UP) 1.6.2-41.6.2-41.6.2-41.6.3~rc2visualisation crystallography input-generation-output-processing
xdrawchem (PTS, VCS, UP) 1.11.0-21.11.0-31.11.0-31.11.0view-edit-2d
xmakemol (PTS, VCS, UP) 5.16-105.16-105.16-105.16visualisation
xtpcpp (PTS, VCS, UP) 0.4.18-10.4.18-10.4.18-1analytical-biochemistry