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
Not packaged
Obsolete
Upstream behind unstable
Unstable fits upstream
Unstable behind upstream

DebiChem packages in Ubuntu Thermometer

Package stabletestingunstablestable-bpojammykineticlunarupstreamtasks
abinit (PTS, VCS, UP) 9.2.2-19.6.2-19.6.2-19.6.2-1build19.6.2-1build39.6.2-1build3periodic-abinitio
aces3 (PTS, VCS, UP) 3.0.8-73.0.8-93.0.8-93.0.8-83.0.8-83.0.8-93.0.7molecular-abinitio
adun.app (PTS, VCS, UP) 0.81-140.81-140.81-140.81-14build20.81-14build20.81-14build20.No-Sitemolecular-dynamics visualisation
avogadro (PTS, VCS, UP) 1.93.0-21.97.0-11.97.0-11.95.1-21.97.0-11.97.0-11.97.0input-generation-output-processing visualisation molecular-modelling
bagel (PTS, VCS, UP) 1.2.2-21.2.2-51.2.2-51.2.2-3ubuntu11.2.2-3ubuntu11.2.2-3ubuntu1molecular-abinitio
ball (PTS, VCS, UP) 1.5.0+git20180813.37fc53c-61.5.0+git20180813.37fc53c-111.5.0+git20180813.37fc53c-111.5.0+git20180813.37fc53c-10build11.5.0+git20180813.37fc53c-10build21.5.0+git20180813.37fc53c-111.5.0+git20220524.d85d2ddmolecular-modelling visualisation input-generation-output-processing
biceps (VCS, UP) analytical-biochemistry
bkchem (PTS, VCS, UP) 0.14.0~pre4+git20211228-30.14.0~pre4+git20211228-30.14.0~pre4+git20211228-10.14.0~pre4+git20211228-10.14.0~pre4+git20211228-3view-edit-2d
btas (PTS, VCS, UP) 0.0+git20221014.147bf4d4-10.0+git20221014.147bf4d4-10.0+git20221014.147bf4d4-1development
c2x (PTS, VCS, UP) 2.35a+ds-12.40.d+ds-12.40.d+ds-12.40+ds-12.40.c+ds-12.40.d+ds-12.40.dinput-generation-output-processing
cclib (PTS, VCS, UP) 1.6.2-21.6.2-21.6.2-21.6.2-21.6.2-21.6.2-2input-generation-output-processing visualisation
cdk (PTS, VCS, UP) 2.3.134.g1bb9a64587-22.8-22.8-22.7.1-12.7.1-12.8-22.8cheminformatics
chemps2 (PTS, VCS, UP) 1.8.10-21.8.12-11.8.12-11.8.11-1build11.8.12-11.8.12-11.8.12molecular-abinitio
chemtool (PTS, VCS, UP) 1.6.14-61.6.14-61.6.14-61.6.14-61.6.14-61.6.14-61.6.14view-edit-2d
cp2k (PTS, VCS, UP) 8.1-92023.1-22023.1-29.1-29.1-2build12023.1-22023.1semiempirical periodic-abinitio molecular-abinitio molecular-dynamics
dbcsr (PTS, VCS, UP) 2.5.0-12.5.0-12.3.0-12.5.0-12.5.0development
dl-poly-classic (VCS, UP) molecular-dynamics
drawxtl (PTS, VCS, UP) 5.5-55.5-65.5-65.5-5build15.5-5build15.5-65.5crystallography visualisation
easychem (PTS, VCS, UP) 0.6-90.6-90.6-90.6-90.6-90.6-90.6view-edit-2d
elkcode (PTS, VCS, UP) 6.3.2-28.4.30-18.4.30-17.2.42-28.4.30-18.4.30-18.7.2molecular-abinitio
elpa (PTS, VCS, UP) 2019.11.001-42022.11.001-22022.11.001-22021.11.001-12021.11.002-1build12022.11.001-22022.11.001development
ergo (PTS, VCS, UP) 3.8-13.8-13.8-13.8-1build13.8-1build13.8-1build13.8molecular-abinitio
espresso (PTS, VCS, UP) 6.7-26.7-26.7-26.7-2build16.7-2build26.7-2build2periodic-abinitio
fftw3 (PTS, VCS, UP) 3.3.8-23.3.10-13.3.10-13.3.8-2ubuntu83.3.8-2ubuntu83.3.8-2ubuntu83.3.10development
gabedit (PTS, VCS, UP) 2.5.1~20200828-12.5.1+ds-12.5.1+ds-12.5.1+ds-12.5.1+ds-12.5.1+ds-12.5.1input-generation-output-processing visualisation
galib (PTS, VCS, UP) 2.4.7-42.4.7-62.4.7-62.4.7-62.4.7-62.4.7-62.4.7development
gamgi (PTS, VCS, UP) 0.17.3-30.17.5-10.17.5-10.17.3-30.17.3-30.17.5-10.17.5visualisation crystallography
garlic (PTS, VCS, UP) 1.6-31.6-31.6-31.6-31.6-31.6-31.6visualisation
gausssum (PTS, VCS, UP) 3.0.2-23.0.2-23.0.2-23.0.2-23.0.2-23.0.2-23.0.2visualisation input-generation-output-processing
gdis (PTS, VCS, UP) 0.90-60.90-60.90-60.90-6build10.90-6build10.90-6build1visualisation
gdpc (PTS, VCS, UP) 2.2.5-142.2.5-152.2.5-152.2.5-152.2.5-152.2.5-150.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) 0.14.17-60.14.17-6.10.14.17-6.10.14.17-6.10.14.17-6.10.14.17-6.10.14.17view-edit-2d crystallography
gpaw (PTS, VCS, UP) 21.1.0-122.8.0-222.8.0-222.1.0-1build122.8.0-122.8.0-1build122.8.0periodic-abinitio
gromacs (PTS, VCS, UP) 2020.6-22022.4-22022.4-22021.4-22022.2-12022.2-12023-betamolecular-dynamics
i2masschroq (PTS, VCS, UP) 0.4.54-10.4.54-10.4.54-1analytical-biochemistry
indigo (PTS, VCS, UP) 1.2.3-3.11.2.3-3.11.2.3-3.11.2.3-3.11.2.3-3.11.2.3-3.1cheminformatics
isospec (PTS, VCS, UP) 2.1.3-12.2.1-12.2.1-12.1.3-1build12.1.3-1build12.2.1-1analytical-biochemistry
jmol (PTS, VCS, UP) 14.6.4+2016.11.05+dfsg1-414.32.79+dfsg2-114.32.79+dfsg2-114.32.3+dfsg1-114.32.64+dfsg-114.32.79+dfsg2-114.32.83visualisation input-generation-output-processing
kalzium (PTS, VCS, UP) 20.12.0-122.12.1-122.12.1-121.12.3-0ubuntu122.08.1-0ubuntu122.12.1-0ubuntu122.12.1visualisation
lammps (PTS, VCS, UP) 20210122~gita77bb+ds1-220220106.git7586adbb6a+ds1-220220106.git7586adbb6a+ds1-220220106.git7586adbb6a+ds1-220220106.git7586adbb6a+ds1-220220106.git7586adbb6a+ds1-2build1molecular-dynamics
lapack (PTS, VCS, UP) 3.9.0-33.11.0-23.11.0-23.10.0-2ubuntu13.10.1-23.11.0-23.11.0development
libint (PTS, VCS, UP) 1.2.1-61.2.1-61.2.1-61.2.1-61.2.1-61.2.1-6development
libint2 (PTS, VCS, UP) 2.6.0-132.7.2-12.7.2-12.7.1-22.7.1-22.7.2-12.7.2development
libmstoolkit (PTS, VCS, UP) 82-782-782-782-782-782-7analytical-biochemistry
libpwiz (PTS, VCS, UP) 3.0.18342-43.0.18342-43.0.18342-43.0.18342-4build13.0.18342-4build13.0.18342-4build1analytical-biochemistry
libpwizlite (PTS, VCS, UP) 3.0.3-13.0.4-13.0.4-13.0.3-1build13.0.4-13.0.4-1analytical-biochemistry
libxc (PTS, VCS, UP) 4.3.4-25.2.3-15.2.3-15.1.7-1ubuntu15.2.2-1ubuntu25.2.3-1ubuntu16.1.0development
lutefisk (PTS, VCS, UP) 1.0.7+dfsg-71.0.7+dfsg-71.0.7+dfsg-71.0.7+dfsg-71.0.7+dfsg-71.0.7+dfsg-71.0.7analytical-biochemistry
macromoleculebuilder (PTS, VCS, UP) 3.2+dfsg-24.0.0+dfsg-24.0.0+dfsg-23.5+dfsg-4ubuntu13.5+dfsg-73.5+dfsg-74.0.0molecular-modelling
madness (PTS, VCS, UP) 0.10.1+git20200818.eee5fd9f-20.10.1+git20200818.eee5fd9f-30.10.1+git20200818.eee5fd9f-30.10.1+git20200818.eee5fd9f-30.10.1+git20200818.eee5fd9f-30.10.1+git20200818.eee5fd9f-3development
massxpert (PTS, VCS, UP) 6.0.2-17.0.0-27.0.0-26.0.3-16.0.3-17.0.0-25.8.2analytical-biochemistry
minexpert2 (PTS, VCS, UP) 7.4.1-18.6.2-28.2.0-18.5.2-18.6.2-28.6.2-2analytical-biochemistry
molds (PTS, VCS, UP) 0.3.1-10.3.1-10.3.1-10.3.1semiempirical
mopac (PTS, VCS, UP) 22.0.6+dfsg-122.0.6+dfsg-122.0.6+dfsg-122.0.6semiempirical
mopac7 (PTS, VCS, UP) 1.15-61.15-61.15-61.15-6ubuntu41.15-6ubuntu41.15-6ubuntu41.15semiempirical
mpi-defaults (PTS, VCS, UP) 1.131.141.141.141.141.14development
mpqc (PTS, VCS, UP) 2.3.1-212.3.1-222.3.1-222.3.1-212.3.1-212.3.1-222.3.1molecular-abinitio development
mpqc3 (PTS, VCS, UP) 0.0~git20170114-4.1molecular-abinitio
nwchem (PTS, VCS, UP) 7.0.2-17.0.2-37.0.2-37.0.2-37.0.2-3build17.0.2-3build27.0.2periodic-abinitio molecular-dynamics molecular-abinitio
openbabel (PTS, VCS, UP) 3.1.1+dfsg-63.1.1+dfsg-93.1.1+dfsg-93.1.1+dfsg-6ubuntu53.1.1+dfsg-6ubuntu53.1.1+dfsg-93.1.1cheminformatics
openchemlib (PTS, VCS, UP) 2021.2.0+dfsg-12023.1.1+dfsg-12023.1.1+dfsg-12022.2.1+dfsg-12022.4.2+dfsg-12023.1.1+dfsg-12023.1.2cheminformatics
openmm (PTS, VCS, UP) 7.5.0+dfsg-17.7.0+dfsg-97.7.0+dfsg-97.7.0+dfsg-57.7.0+dfsg-77.7.0+dfsg-97.7.0development
openmolcas (PTS, VCS, UP) 20.10-222.10-122.10-121.10-1ubuntu122.02-622.10-122.10molecular-abinitio
openms (PTS, VCS, UP) 2.6.0+cleaned1-32.6.0+cleaned1-32.6.0+cleaned1-32.6.0+cleaned1-3build12.6.0+cleaned1-3build22.6.0+cleaned1-3build22.4.0-srcanalytical-biochemistry
openmx (PTS, VCS, UP) 3.8.5+dfsg1-13.8.5+dfsg1-1build13.8.5+dfsg1-1build13.8.5+dfsg1-1build13.9.9periodic-abinitio
openstructure (PTS, VCS, UP) 2.2.0-62.3.1-82.3.1-82.3.1-2build12.3.1-8build12.3.1-8build12.3.1molecular-modelling
opsin (PTS, VCS, UP) 2.5.0-12.7.0-22.7.0-22.6.0-22.7.0-12.7.0-22.7.0cheminformatics
oscar4 (PTS, VCS, UP) 5.2.0+dfsg-25.2.0+dfsg-25.1.2+dfsg-15.1.2+dfsg-15.2.0+dfsg-25.2.0cheminformatics
osra (PTS, VCS, UP) 2.1.3-22.1.3-22.1.3-22.1.3cheminformatics view-edit-2d
promod3 (PTS, VCS, UP) 3.2.1+ds-63.2.1+ds-63.2.1+ds-53.2.1+ds-63.2.1molecular-modelling
psi4 (PTS, VCS, UP) 1.3.2+dfsg-21.3.2+dfsg-41.3.2+dfsg-41.3.2+dfsg-2.11.3.2+dfsg-2.11.7molecular-abinitio
psicode (PTS, VCS, UP) 3.4.0-63.4.0-63.4.0-63.4.0-6ubuntu13.4.0-6ubuntu13.4.0-6ubuntu13.4.0molecular-abinitio development
pycifrw (PTS, VCS, UP) 4.4-24.4.4-34.4.4-34.4.4-1build14.4.4-1build14.4.4-34.4.4input-generation-output-processing
pymol (PTS, VCS, UP) 2.4.0+dfsg-22.5.0+dfsg-12.5.0+dfsg-12.5.0+dfsg-1build12.5.0+dfsg-1build12.5.0+dfsg-1build22.5.0molecular-modelling
python-ase (PTS, VCS, UP) 3.21.1-23.22.1-33.22.1-33.22.1-1ubuntu13.22.1-23.22.1-33.22.1input-generation-output-processing
python-fabio (PTS, VCS, UP) 0.11.0+dfsg-30.14.0+dfsg-20.14.0+dfsg-20.13.0+dfsg-1build10.14.0+dfsg-10.14.0+dfsg-22022.12.1crystallography
python-pymzml (PTS, VCS, UP) 2.4.7-32.5.2+repack1-12.4.7-32.4.7-32.5.2+repack1-1analytical-biochemistry
qutemol (PTS, VCS, UP) 0.4.1~cvs20081111-130.4.1~cvs20081111-150.4.1~cvs20081111-150.4.1~cvs20081111-14build10.4.1~cvs20081111-14build10.4.1~cvs20081111-150.4visualisation
r-cran-maldiquant (PTS, VCS, UP) 1.19.3-21.22-11.22-11.21-11.21-11.22-11.22analytical-biochemistry
r-cran-maldiquantforeign (PTS, VCS, UP) 0.12-20.13-10.13-10.13-10.13-10.13-10.13analytical-biochemistry
r-cran-mixtools (PTS, VCS, UP) 1.2.0-12.0.0-12.0.0-11.2.0-1build11.2.0-1build12.0.0-12.0.0analytical-biochemistry
r-cran-readbrukerflexdata (PTS, VCS, UP) 1.8.5-31.9.0-11.9.0-11.8.5-3build11.9.0-11.9.0-11.9.0analytical-biochemistry
r-cran-readmzxmldata (PTS, VCS, UP) 2.8.1-42.8.2-12.8.2-12.8.1-4build12.8.1-4build12.8.2-12.8.2analytical-biochemistry
r-other-amsmercury (PTS, VCS, UP) 1.3.0-41.3.0-41.3.0-41.3.0-41.3.0-41.3.0-40.No-Siteanalytical-biochemistry
r-other-curvefdp (PTS, VCS, UP) 2.0-62.0-62.0-62.0-6build12.0-6build12.0-6build12.0analytical-biochemistry
r-other-iwrlars (PTS, VCS, UP) 0.9-5-40.9-5-40.9-5-40.9-5-4build10.9-5-4build10.9-5-4build10.No-Siteanalytical-biochemistry
r-other-nitpick (PTS, VCS, UP) 2.0-72.0-72.0-72.0-7build12.0-7build12.0-7build10.No-Siteanalytical-biochemistry
rasmol (PTS, VCS, UP) 2.7.6.0-22.7.6.0-32.7.6.0-32.7.6.0-22.7.6.0-32.7.6.0-32.7.6.0visualisation
raster3d (PTS, VCS, UP) 3.0-7-23.0-7-23.0-7-23.0-7-23.0-7-23.0-7-23.0-7visualisation
rdkit (PTS, VCS, UP) 202009.4-1202209.3-1202209.3-1202109.2-1build1202203.2-2build1202209.1-1202209.4cheminformatics
scalapack (PTS, VCS, UP) 2.1.0-42.2.1-22.2.1-22.1.0-42.2.1-12.2.1-22.2.1development
shelxle (PTS, VCS, UP) 1.0.1179-11.0.1472-11.0.1472-11.0.1346-11.0.1346-11.0.1472-11.0.1478visualisation crystallography
smiles-scripts (PTS, VCS, UP) 0.2.0+dfsg1-30.2.0+dfsg1-30.2.0+dfsg1-30.2.0cheminformatics
spglib (PTS, VCS, UP) 1.16.1-12.0.2-12.0.2-11.16.2-2build32.0.0-12.0.2-1build12.0.2development
tandem-mass (PTS, VCS, UP) 201702011-1201702011-1201702011-1201702011-1build1201702011-1build1201702011-1build12017.02.01.4.zipanalytical-biochemistry
tiledarray (PTS, VCS, UP) 1.0.0-10.6.0-5.20.6.0-5.20.6.0-5.2development
toppic (PTS, VCS, UP) 1.3.0+dfsg1-41.5.3+dfsg1-11.5.3+dfsg1-11.3.0+dfsg1-4build11.3.0+dfsg1-4build11.5.3+dfsg1-11.6.1analytical-biochemistry
travis (PTS, VCS, UP) 200504+hf2-1220729-1220729-1210521-1210521-1220729-1220729input-generation-output-processing
v-sim (PTS, VCS, UP) 3.7.2-83.7.2-93.7.2-93.7.2-8build73.7.2-8build73.7.2-9visualisation
votca (PTS, VCS, UP) 2022.1-12022.1-12022-32022-32022.1molecular-dynamics
wannier90 (PTS, VCS, UP) 3.1.0+ds-43.1.0+ds-73.1.0+ds-73.1.0+ds-73.1.0+ds-73.1.0+ds-73.1.0periodic-abinitio
xbs (PTS, VCS, UP) 0-100-110-110-110-110-11visualisation
xcrysden (PTS, VCS, UP) 1.6.2-41.6.2-41.6.2-41.6.2-41.6.2-41.6.2-41.6.3~rc2visualisation input-generation-output-processing crystallography
xdrawchem (PTS, VCS, UP) 1.11.0-21.11.0-31.11.0-31.11.0-31.11.0-31.11.0-31.11.0view-edit-2d
xmakemol (PTS, VCS, UP) 5.16-105.16-105.16-105.16-105.16-105.16-10build15.16visualisation
xtb (PTS, VCS, UP) 6.5.1-36.5.1-36.5.1-36.5.1semiempirical
xtpcpp (PTS, VCS, UP) 0.4.18-10.4.51-1analytical-biochemistry