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
Color legend
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) 9.6.2-19.10.4-310.2.1periodic-abinitio
aces3 (PTS, VCS, UP) 3.0.8-9molecular-abinitio
adun.app (PTS, VCS, UP) 0.81-140.81-140.81-140.No-Sitemolecular-dynamics visualisation
avogadro (PTS, VCS, UP) 1.97.0-11.99.0-11.99.0-11.99.0visualisation input-generation-output-processing molecular-modelling
bagel (PTS, VCS, UP) 1.2.2-61.2.2-81.2.2-81.2.2molecular-abinitio
ball (PTS, VCS, UP) 1.5.0+git20180813.37fc53c-111.5.0+git20180813.37fc53c-111.5.0+git20220524.d85d2ddinput-generation-output-processing visualisation molecular-modelling
biceps (VCS, UP) 0.0.201401-1analytical-biochemistry
bkchem (PTS, VCS, UP) 0.14.0~pre4+git20211228-30.14.0~pre4+git20211228-40.14.0~pre4+git20211228-4view-edit-2d
btas (PTS, VCS, UP) 0.0+git20221014.147bf4d4-1development
c2x (PTS, VCS, UP) 2.40.e+ds-12.41.b+ds-22.41.b+ds-22.41.binput-generation-output-processing
cclib (PTS, VCS, UP) 1.6.2-21.8-11.8-11.8.1visualisation input-generation-output-processing
cdk (PTS, VCS, UP) 2.8-22.9-12.9-12.9cheminformatics
chemicaltagger (PTS, VCS, UP) 1.6.2-21.6.2-41.6.2-41.6.2cheminformatics
chemps2 (PTS, VCS, UP) 1.8.12-11.8.12-3.11.8.12molecular-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+cleaned1-4.12019015+cleaned1-4.12021010analytical-biochemistry
cp2k (PTS, VCS, UP) 2023.1-22023.2-22024.3semiempirical molecular-dynamics periodic-abinitio molecular-abinitio
cpptraj (PTS, VCS, UP) 5.1.0+dfsg-45.1.0+dfsg-46.4.4molecular-dynamics
dbcsr (PTS, VCS, UP) 2.5.0-12.6.0-22.6.0-22.7.0-rc2development
dl-poly-classic (VCS, UP) 1.10+dfsg-1molecular-dynamics
drawxtl (PTS, VCS, UP) 5.5-65.5-6.15.5-6.15.5crystallography visualisation
easychem (PTS, VCS, UP) 0.6-90.6-90.6-90.6view-edit-2d
elkcode (PTS, VCS, UP) 8.4.30-19.6.8-110.1.15molecular-abinitio
elpa (PTS, VCS, UP) 2022.11.001-22022.11.001-32022.11.001-32024.05.001development
ergo (PTS, VCS, UP) 3.8-13.8.2-13.8.2molecular-abinitio
espresso (PTS, VCS, UP) 6.7-26.7-3periodic-abinitio
fftw3 (PTS, VCS, UP) 3.3.10-13.3.10-13.3.10-23.3.10development
freesasa (PTS, VCS, UP) 2.1.2-12.1.2-42.1.2-42.1.2analytical-biochemistry
gabedit (PTS, VCS, UP) 2.5.1+ds-12.5.1+ds-12.5.1visualisation input-generation-output-processing
galib (PTS, VCS, UP) 2.4.7-62.4.7-62.4.7-62.4.7development
gamgi (PTS, VCS, UP) 0.17.5-10.17.5-10.17.5visualisation 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) 0.90-60.90-6visualisation
gdpc (PTS, VCS, UP) 2.2.5-152.2.5-162.2.5-160.No-Releasevisualisation
gemmi (PTS, VCS, UP) 0.5.7+ds-20.6.5+ds-20.6.5+ds-20.6.7crystallography
ghemical (PTS, VCS, UP) 3.0.0-53.0.0-53.0.0molecular-modelling
gnome-chemistry-utils (PTS, VCS, UP) 0.14.17-6.10.14.17-6.20.14.17crystallography view-edit-2d
gpaw (PTS, VCS, UP) 22.8.0-224.6.0-124.6.0-124.6.0periodic-abinitio
gromacs (PTS, VCS, UP) 2022.5-22024.3-22024.4-12024.4molecular-dynamics
inchi (PTS, VCS, UP) 1.03+dfsg-41.07.1+dfsg-41.07.1+dfsg-41.07.1cheminformatics
indigo (PTS, VCS, UP) 1.2.3-3.11.2.3-3.11.2.3-3.1cheminformatics
isospec (PTS, VCS, UP) 2.2.1-12.2.1-4.12.2.1-4.1analytical-biochemistry
jmol (PTS, VCS, UP) 14.32.83+dfsg-216.2.33+dfsg-116.2.33+dfsg-116.2.37input-generation-output-processing visualisation
jni-inchi (PTS, VCS, UP) 0.8+dfsg-70.8+dfsg-80.8+dfsg-80.8cheminformatics
kalzium (PTS, VCS, UP) 22.12.3-123.08.5-123.08.5-124.08.2-124.08.2visualisation
lammps (PTS, VCS, UP) 20220106.git7586adbb6a+ds1-220240207+dfsg-1.120240829molecular-dynamics
lapack (PTS, VCS, UP) 3.11.0-23.12.0-33.12.0-33.12.0development
libint (PTS, VCS, UP) 1.2.1-61.2.1-61.2.1-6development
libint2 (PTS, VCS, UP) 2.7.2-12.7.2-1.12.7.2-1.12.9.0development
libmstoolkit (PTS, VCS, UP) 82-782-7.282-7.2analytical-biochemistry
libpwiz (PTS, VCS, UP) 3.0.18342-43.0.18342-4.1analytical-biochemistry
libpwizlite (PTS, VCS, UP) 3.0.4-13.0.8-13.0.8-1analytical-biochemistry
libtrexio (PTS, VCS, UP) 2.2.3-32.2.3-32.2.3-32.5.0development
libxc (PTS, VCS, UP) 5.2.3-15.2.3-15.2.3-1development
lutefisk (PTS, VCS, UP) 1.0.7+dfsg-71.0.7+dfsg-71.0.7+dfsg-71.0.7analytical-biochemistry
macromoleculebuilder (PTS, VCS, UP) 4.0.0+dfsg-24.0.0+dfsg-44.0.0+dfsg-44.0.0+dfsg-3.1~exp14.0.0molecular-modelling
madness (PTS, VCS, UP) 0.10.1+git20200818.eee5fd9f-30.10.1+git20200818.eee5fd9f-30.10.1+git20200818.eee5fd9f-3development
massxpert (PTS, VCS, UP) 7.0.0-25.8.2analytical-biochemistry
massxpert2 (PTS, VCS, UP) 8.5.0-18.5.0-1analytical-biochemistry
minexpert2 (PTS, VCS, UP) 8.6.3-19.6.0-19.6.0-1analytical-biochemistry
mmtf-java (PTS, VCS, UP) 1.0.11-11.0.11-11.0.11-11.0.11crystallography
molds (PTS, VCS, UP) 0.3.1-10.3.1-1semiempirical
molmodel (PTS, VCS, UP) 3.1.0-23.1.0-4.13.1.0-4.13.1.0development
mopac (PTS, VCS, UP) 22.0.6+dfsg-122.1.1-222.1.1-222.1.1semiempirical
mopac7 (PTS, VCS, UP) 1.15-61.15-71.15-71.15semiempirical
mpi-defaults (PTS, VCS, UP) 1.141.171.17development
mpqc (PTS, VCS, UP) 2.3.1-222.3.1-222.3.1molecular-abinitio development
nwchem (PTS, VCS, UP) 7.0.2-47.2.2-27.2.3-47.2.3molecular-abinitio periodic-abinitio molecular-dynamics
openbabel (PTS, VCS, UP) 3.1.1+dfsg-93.1.1+dfsg-113.1.1+dfsg-113.1.1cheminformatics
openchemlib (PTS, VCS, UP) 2023.1.1+dfsg-12023.1.1+dfsg-12023.1.1+dfsg-12024.11.0cheminformatics
openmm (PTS, VCS, UP) 7.7.0+dfsg-98.1.2+dfsg-18.1.2+dfsg-18.2.0~betadevelopment
openmolcas (PTS, VCS, UP) 22.10-123.10-1molecular-abinitio
openms (PTS, VCS, UP) 2.6.0+cleaned1-32.6.0+cleaned1-42.6.0+cleaned1-42.4.0-srcanalytical-biochemistry
openstructure (PTS, VCS, UP) 2.3.1-92.5.0-32.5.0-32.6.1-1~exp2.9.0molecular-modelling
opsin (PTS, VCS, UP) 2.7.0-22.8.0-12.8.0-12.8.0cheminformatics
oscar4 (PTS, VCS, UP) 5.2.0+dfsg-25.2.0+dfsg-25.2.0+dfsg-25.2.0cheminformatics
osra (PTS, VCS, UP) 2.1.3-32.1.3-32.1.3-32.1.3view-edit-2d cheminformatics
parmed (PTS, VCS, UP) 3.4.3+dfsg-14.2.2+dfsg-34.2.2+dfsg-34.3.0molecular-dynamics
pdb-tools (PTS, VCS, UP) 2.5.0-22.5.1-22.5.1-22.5.1crystallography
phonopy (PTS, VCS, UP) 2.17.1-12.23.1-12.23.1-12.29.1crystallography
prody (PTS, VCS, UP) 2.3.1+dfsg-32.4.1+dfsg-22.5.0rc0molecular-dynamics
promod3 (PTS, VCS, UP) 3.2.1+ds-63.4.0+ds-1molecular-modelling
psi4 (PTS, VCS, UP) 1.3.2+dfsg-51.3.2+dfsg-51.9.1molecular-abinitio
psicode (PTS, VCS, UP) 3.4.0-63.4.0-63.4.0development molecular-abinitio
pycifrw (PTS, VCS, UP) 4.4.4-34.4.6-34.4.6-34.4.6input-generation-output-processing
pymol (PTS, VCS, UP) 2.5.0+dfsg-13.0.0+dfsg-13.0.0+dfsg-13.0.0molecular-modelling
python-ase (PTS, VCS, UP) 3.22.1-33.23.0-13.23.0-13.23.0input-generation-output-processing
python-fabio (PTS, VCS, UP) 0.14.0+dfsg-22024.4.0-22024.4.0-22023.6.0-3~bpo12+12024.9.0crystallography
python-pymzml (PTS, VCS, UP) 2.5.2+repack1-12.5.10+repack1-12.5.10+repack1-12.5.10analytical-biochemistry
qutemol (PTS, VCS, UP) 0.4.1~cvs20081111-150.4.1~cvs20081111-150.4.1~cvs20081111-150.4visualisation
rasmol (PTS, VCS, UP) 2.7.6.0-32.7.6.0-32.7.6.0-32.7.6.0visualisation
raster3d (PTS, VCS, UP) 3.0-7-23.0-7-23.0-7-23.0-7visualisation
r-cran-maldiquant (PTS, VCS, UP) 1.22-11.22.3-11.22.3-11.22.3analytical-biochemistry
r-cran-maldiquantforeign (PTS, VCS, UP) 0.13-10.14.1-10.14.1-10.14.1analytical-biochemistry
r-cran-mixtools (PTS, VCS, UP) 2.0.0-12.0.0-12.0.0-12.0.0analytical-biochemistry
r-cran-readbrukerflexdata (PTS, VCS, UP) 1.9.0-11.9.3-11.9.3-11.9.3analytical-biochemistry
r-cran-readmzxmldata (PTS, VCS, UP) 2.8.2-12.8.3-12.8.3-12.8.3analytical-biochemistry
rdkit (PTS, VCS, UP) 202209.3-1202309.3-5202309.3-7202409.2cheminformatics
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
scalapack (PTS, VCS, UP) 2.2.1-22.2.1-52.2.1-52.2.1development
shelxle (PTS, VCS, UP) 1.0.1472-11.0.1552-11.0.1552-11.0.1695crystallography visualisation
smiles-scripts (PTS, VCS, UP) 0.2.0+dfsg1-40.2.0+dfsg1-60.2.0+dfsg1-60.2.0cheminformatics
spglib (PTS, VCS, UP) 2.0.2-12.5.0-12.5.0-12.5.0development
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) 1.5.3+dfsg1-11.5.3+dfsg1-11.5.3+dfsg1-11.7.8analytical-biochemistry
travis (PTS, VCS, UP) 220729-1220729-1220729-1220729input-generation-output-processing
votca (PTS, VCS, UP) 2022.1-12024.1-12024.1-12024.2molecular-dynamics
v-sim (PTS, VCS, UP) 3.7.2-93.7.2-9visualisation
wannier90 (PTS, VCS, UP) 3.1.0+ds-73.1.0+ds-103.1.0periodic-abinitio
xbs (PTS, VCS, UP) 0-110-120-12visualisation
xcrysden (PTS, VCS, UP) 1.6.2-41.6.2-41.6.2-41.6.3~rc2crystallography input-generation-output-processing visualisation
xdrawchem (PTS, VCS, UP) 1.11.0-41.11.1-11.11.1-1view-edit-2d
xmakemol (PTS, VCS, UP) 5.16-105.16-105.16visualisation
xtb (PTS, VCS, UP) 6.5.1-36.7.0-16.7.0-16.7.1semiempirical