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.
Links
DebiChem
Ubuntu Thermometer
Tasks of DebiChem
Package list
Bugs of DebiChem
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Up to date
Debian stable behind unstable
Ubuntu behind Debian unstable
Waiting in NEW
Not packaged
Obsolete
Upstream behind unstable
Unstable fits upstream
Unstable behind upstream

DebiChem Package Thermometer
Package stabletestingunstablestable-bpoexperimentalNEWUNRELEASEDupstreamtasks
abinit (PTS, VCS, UP) 9.2.2-19.6.2-19.6.2-1periodic-abinitio
aces3 (PTS, VCS, UP) 3.0.8-73.0.8-93.0.8-93.0.7molecular-abinitio
adun.app (PTS, VCS, UP) 0.81-140.81-140.81-140.No-Sitemolecular-dynamics visualisation
avogadro (PTS, VCS, UP) 1.93.0-21.97.0-11.97.0-11.97.0visualisation molecular-modelling input-generation-output-processing
bagel (PTS, VCS, UP) 1.2.2-21.2.2-61.2.2-61.2.2molecular-abinitio
ball (PTS, VCS, UP) 1.5.0+git20180813.37fc53c-61.5.0+git20180813.37fc53c-111.5.0+git20180813.37fc53c-111.5.0+git20220524.d85d2ddvisualisation molecular-modelling input-generation-output-processing
biceps (VCS, UP) 0.0.201401-1analytical-biochemistry
bkchem (PTS, VCS, UP) 0.14.0~pre4+git20211228-30.14.0~pre4+git20211228-3view-edit-2d
btas (PTS, VCS, UP) 0.0+git20221014.147bf4d4-1development
c2x (PTS, VCS, UP) 2.35a+ds-12.40.e+ds-12.40.e+ds-12.40.einput-generation-output-processing
cclib (PTS, VCS, UP) 1.6.2-21.6.2-21.6.2-2visualisation input-generation-output-processing
cdk (PTS, VCS, UP) 2.3.134.g1bb9a64587-22.8-22.8-22.8cheminformatics
chemicaltagger (PTS, VCS, UP) 1.6.2-21.6.2-21.6.2cheminformatics
chemps2 (PTS, VCS, UP) 1.8.10-21.8.12-11.8.12-11.8.12molecular-abinitio
chemtool (PTS, VCS, UP) 1.6.14-61.6.14-61.6.14-61.6.14view-edit-2d
comet-ms (PTS, VCS, UP) 2019015+cleaned1-32019015+cleaned1-32019015+cleaned1-32021010analytical-biochemistry
cp2k (PTS, VCS, UP) 8.1-92023.1-22023.1-22023.1molecular-abinitio semiempirical periodic-abinitio molecular-dynamics
cpptraj (PTS, VCS, UP) 5.1.0+dfsg-36.4.4molecular-dynamics
dbcsr (PTS, VCS, UP) 2.5.0-12.5.0-12.5.0development
dl-poly-classic (VCS, UP) 1.10+dfsg-1molecular-dynamics
drawxtl (PTS, VCS, UP) 5.5-55.5-65.5-65.5crystallography visualisation
easychem (PTS, VCS, UP) 0.6-90.6-90.6-90.6view-edit-2d
elkcode (PTS, VCS, UP) 6.3.2-28.4.30-18.4.30-18.8.26molecular-abinitio
elpa (PTS, VCS, UP) 2019.11.001-42022.11.001-22022.11.001-22023.05.001.rc1/Changelogdevelopment
ergo (PTS, VCS, UP) 3.8-13.8-13.8-13.8molecular-abinitio
espresso (PTS, VCS, UP) 6.7-26.7-26.7-2periodic-abinitio
fftw3 (PTS, VCS, UP) 3.3.8-23.3.10-13.3.10-13.3.10development
freesasa (PTS, VCS, UP) 2.1.2-12.1.2-12.1.2analytical-biochemistry
gabedit (PTS, VCS, UP) 2.5.1~20200828-12.5.1+ds-12.5.1+ds-12.5.1visualisation input-generation-output-processing
galib (PTS, VCS, UP) 2.4.7-42.4.7-62.4.7-62.4.7development
gamgi (PTS, VCS, UP) 0.17.3-30.17.5-10.17.5-10.17.5visualisation crystallography
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
gemmi (PTS, VCS, UP) 0.5.7+ds-20.5.7+ds-20.6.1+ds-10.6.2crystallography
ghemical (PTS, VCS, UP) 3.0.0-53.0.0-53.0.0-53.0.0molecular-modelling
gnome-chemistry-utils (PTS, VCS, UP) 0.14.17-60.14.17-6.10.14.17-6.10.14.17view-edit-2d crystallography
gpaw (PTS, VCS, UP) 21.1.0-122.8.0-222.8.0-222.8.0periodic-abinitio
gromacs (PTS, VCS, UP) 2020.6-22022.5-22022.5-22023.1-12023.1molecular-dynamics
i2masschroq (PTS, VCS, UP) 0.4.54-1analytical-biochemistry
inchi (PTS, VCS, UP) 1.03+dfsg-41.03+dfsg-4cheminformatics
indigo (PTS, VCS, UP) 1.2.3-3.11.2.3-3.11.2.3-3.1cheminformatics
isospec (PTS, VCS, UP) 2.1.3-12.2.1-12.2.1-1analytical-biochemistry
jmol (PTS, VCS, UP) 14.6.4+2016.11.05+dfsg1-414.32.83+dfsg-214.32.83+dfsg-214.32.83input-generation-output-processing visualisation
jni-inchi (PTS, VCS, UP) 0.8+dfsg-60.8+dfsg-70.8+dfsg-70.8cheminformatics
kalzium (PTS, VCS, UP) 20.12.0-122.12.3-122.12.3-123.04.1visualisation
lammps (PTS, VCS, UP) 20210122~gita77bb+ds1-220220106.git7586adbb6a+ds1-220220106.git7586adbb6a+ds1-2molecular-dynamics
lapack (PTS, VCS, UP) 3.9.0-33.11.0-23.11.0-23.11.0development
libint (PTS, VCS, UP) 1.2.1-61.2.1-61.2.1-6development
libint2 (PTS, VCS, UP) 2.6.0-132.7.2-12.7.2-12.7.2development
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) 3.0.3-13.0.4-13.0.4-1analytical-biochemistry
libtrexio (PTS, VCS, UP) 2.2.3-32.2.3-32.3.2development
libxc (PTS, VCS, UP) 4.3.4-25.2.3-15.2.3-16.2.0development
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-2+deb11u14.0.0+dfsg-24.0.0+dfsg-24.0.0molecular-modelling
madness (PTS, VCS, UP) 0.10.1+git20200818.eee5fd9f-20.10.1+git20200818.eee5fd9f-30.10.1+git20200818.eee5fd9f-3development
massxpert (PTS, VCS, UP) 6.0.2-17.0.0-27.0.0-25.8.2analytical-biochemistry
minexpert2 (PTS, VCS, UP) 7.4.1-18.6.3-18.6.3-18.6.3-1analytical-biochemistry
mmtf-java (PTS, VCS, UP) 1.0.9-41.0.11-11.0.11-11.0.11crystallography
molds (PTS, VCS, UP) 0.3.1-10.3.1-10.3.1-1semiempirical
molmodel (PTS, VCS, UP) 3.0~svn842-23.1.0-23.1.0-23.1.0development
mopac (PTS, VCS, UP) 22.0.6+dfsg-122.0.6+dfsg-122.0.6semiempirical
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) 2.3.1-212.3.1-222.3.1-222.3.1molecular-abinitio development
mpqc3 (PTS, VCS, UP) 0.0~git20170114-4.1molecular-abinitio
nwchem (PTS, VCS, UP) 7.0.2-17.0.2-47.0.2-47.2.0molecular-abinitio periodic-abinitio molecular-dynamics
openbabel (PTS, VCS, UP) 3.1.1+dfsg-63.1.1+dfsg-93.1.1+dfsg-93.1.1cheminformatics
openchemlib (PTS, VCS, UP) 2021.2.0+dfsg-12023.1.1+dfsg-12023.1.1+dfsg-12023.5.1cheminformatics
openmm (PTS, VCS, UP) 7.5.0+dfsg-17.7.0+dfsg-97.7.0+dfsg-98.0.0+dfsg-18.0.0development
openmolcas (PTS, VCS, UP) 20.10-222.10-122.10-123.02molecular-abinitio
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) 2.2.0-62.3.1-92.3.1-92.4.0molecular-modelling
opsin (PTS, VCS, UP) 2.5.0-12.7.0-22.7.0-22.7.0cheminformatics
oscar4 (PTS, VCS, UP) 5.2.0+dfsg-25.2.0+dfsg-25.2.0cheminformatics
osra (PTS, VCS, UP) 2.1.3-32.1.3-32.1.3view-edit-2d cheminformatics
parmed (PTS, VCS, UP) 3.4.3+dfsg-13.4.3+dfsg-14.0.0+dfsg-14.1.0molecular-dynamics
pdb-tools (PTS, VCS, UP) 2.5.0-22.5.0-22.5.0crystallography
phonopy (PTS, VCS, UP) 2.17.1-12.17.1-12.19.1crystallography
prody (PTS, VCS, UP) 2.3.1+dfsg-32.3.1+dfsg-32.4.0molecular-dynamics
promod3 (PTS, VCS, UP) 3.2.1+ds-63.2.1+ds-63.3.0molecular-modelling
psi4 (PTS, VCS, UP) 1.3.2+dfsg-21.3.2+dfsg-51.3.2+dfsg-51.8molecular-abinitio
psicode (PTS, VCS, UP) 3.4.0-63.4.0-63.4.0-63.4.0development molecular-abinitio
pycifrw (PTS, VCS, UP) 4.4-24.4.4-34.4.4-34.4.4input-generation-output-processing
pymol (PTS, VCS, UP) 2.4.0+dfsg-22.5.0+dfsg-12.5.0+dfsg-12.5.0molecular-modelling
python-ase (PTS, VCS, UP) 3.21.1-23.22.1-33.22.1-33.22.1input-generation-output-processing
python-fabio (PTS, VCS, UP) 0.11.0+dfsg-30.14.0+dfsg-20.14.0+dfsg-22023.4.1crystallography
python-pymzml (PTS, VCS, UP) 2.4.7-32.5.2+repack1-12.5.2+repack1-1analytical-biochemistry
qutemol (PTS, VCS, UP) 0.4.1~cvs20081111-130.4.1~cvs20081111-150.4.1~cvs20081111-150.4visualisation
r-cran-maldiquant (PTS, VCS, UP) 1.19.3-21.22-11.22-11.22.1analytical-biochemistry
r-cran-maldiquantforeign (PTS, VCS, UP) 0.12-20.13-10.13-10.13analytical-biochemistry
r-cran-mixtools (PTS, VCS, UP) 1.2.0-12.0.0-12.0.0-12.0.0analytical-biochemistry
r-cran-readbrukerflexdata (PTS, VCS, UP) 1.8.5-31.9.0-11.9.0-11.9.1analytical-biochemistry
r-cran-readmzxmldata (PTS, VCS, UP) 2.8.1-42.8.2-12.8.2-12.8.2analytical-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) 2.7.6.0-22.7.6.0-32.7.6.0-32.7.6.0visualisation
raster3d (PTS, VCS, UP) 3.0-7-23.0-7-23.0-7-23.0-7visualisation
rdkit (PTS, VCS, UP) 202009.4-1202209.3-1202209.3-1202303.1cheminformatics
scalapack (PTS, VCS, UP) 2.1.0-42.2.1-22.2.1-22.2.1development
shelxle (PTS, VCS, UP) 1.0.1179-11.0.1472-11.0.1472-11.0.1522crystallography visualisation
smiles-scripts (PTS, VCS, UP) 0.2.0+dfsg1-40.2.0+dfsg1-40.2.0cheminformatics
spglib (PTS, VCS, UP) 1.16.1-12.0.2-12.0.2-12.0.2development
tandem-mass (PTS, VCS, UP) 201702011-1201702011-1201702011-12017.02.01.4.zipanalytical-biochemistry
tiledarray (PTS, VCS, UP) 1.0.0-1development
toppic (PTS, VCS, UP) 1.3.0+dfsg1-41.5.3+dfsg1-11.5.3+dfsg1-11.6.3analytical-biochemistry
travis (PTS, VCS, UP) 200504+hf2-1220729-1220729-1220729input-generation-output-processing
v-sim (PTS, VCS, UP) 3.7.2-83.7.2-93.7.2-9visualisation
votca (PTS, VCS, UP) 2022.1-12022.1-12023~rc.2molecular-dynamics
wannier90 (PTS, VCS, UP) 3.1.0+ds-43.1.0+ds-73.1.0+ds-73.1.0periodic-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~rc2input-generation-output-processing crystallography visualisation
xdrawchem (PTS, VCS, UP) 1.11.0-21.11.0-41.11.0-41.11.0view-edit-2d
xmakemol (PTS, VCS, UP) 5.16-105.16-105.16-105.16visualisation
xtb (PTS, VCS, UP) 6.5.1-36.5.1-36.6.0-16.6.0semiempirical
xtpcpp (PTS, VCS, UP) 0.4.18-1analytical-biochemistry