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) 9.6.2-19.10.4-310.3.3periodic-abinitio
aces3 (PTS, VCS, UP) 3.0.8-9molecular-abinitio
adun.app (PTS, VCS, UP) 0.81-140.81-140.81-140.No-Sitevisualisation molecular-dynamics
avogadro (PTS, VCS, UP) 1.97.0-11.99.0-11.99.0-11.99.0visualisation molecular-modelling input-generation-output-processing
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.d85d2ddmolecular-modelling input-generation-output-processing visualisation
biceps (VCS, UP) 0.0.201401-1analytical-biochemistry
bkchem (PTS, VCS, UP) 0.14.0~pre4+git20211228-30.14.0~pre4+git20211228-50.14.0~pre4+git20211228-5view-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) 2.8-22.9-22.9-22.9cheminformatics
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) 2023.1-22023.2-22024.3molecular-abinitio molecular-dynamics periodic-abinitio semiempirical
cpptraj (PTS, VCS, UP) 5.1.0+dfsg-45.1.0+dfsg-46.4.4molecular-dynamics
dbcsr (PTS, VCS, UP) 2.5.0-12.6.0-22.6.0-32.8.0development
dl-poly-classic (VCS, UP) 1.10+dfsg-1molecular-dynamics
drawxtl (PTS, VCS, UP) 5.5-65.5-6.15.5-6.15.5visualisation crystallography
easychem (PTS, VCS, UP) 0.6-90.6-90.6-90.6view-edit-2d
elkcode (PTS, VCS, UP) 8.4.30-19.6.8-19.6.8-110.2.4molecular-abinitio
elpa (PTS, VCS, UP) 2022.11.001-22022.11.001-32022.11.001-32024.05.001development
ergo (PTS, VCS, UP) 3.8-13.8.2-1.13.8.2-1.13.8.2molecular-abinitio
espresso (PTS, VCS, UP) 6.7-26.7-36.7-3periodic-abinitio
fftw3 (PTS, VCS, UP) 3.3.10-13.3.10-23.3.10-23.3.10development
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-12.5.1input-generation-output-processing visualisation
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) 3.0.2-23.0.2-23.0.2-23.0.2input-generation-output-processing visualisation
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-20.7.0crystallography
ghemical (PTS, VCS, UP) 3.0.0-53.0.0-5molecular-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) 22.8.0-224.6.0-124.6.0periodic-abinitio
gromacs (PTS, VCS, UP) 2022.5-22024.4-12024.4-12025.0~beta-12025.0~betamolecular-dynamics
inchi (PTS, VCS, UP) 1.03+dfsg-41.07.1+dfsg-61.07.1+dfsg-61.07.1cheminformatics
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) 22.12.3-123.08.5-124.12.0-124.12.0visualisation
lammps (PTS, VCS, UP) 20220106.git7586adbb6a+ds1-220240207+dfsg-220240207+dfsg-220241119molecular-dynamics
lapack (PTS, VCS, UP) 3.11.0-23.12.0-43.12.0-43.12.0development
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) 5.2.3-15.2.3-15.2.3-17.0.0-1development
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-54.0.0+dfsg-54.0.0+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) 8.5.0-2analytical-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) 0.3.1-10.3.1-20.3.1-20.3.1semiempirical
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-122.1.1-222.1.1-223.0.3semiempirical
mopac7 (PTS, VCS, UP) 1.15-61.15-71.15-7semiempirical
mpi-defaults (PTS, VCS, UP) 1.141.171.18development
mpqc (PTS, VCS, UP) 2.3.1-222.3.1-222.3.1development molecular-abinitio
nwchem (PTS, VCS, UP) 7.0.2-47.2.3-67.2.3molecular-dynamics periodic-abinitio molecular-abinitio
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-12024.12.1cheminformatics
openmm (PTS, VCS, UP) 7.7.0+dfsg-98.1.2+dfsg-28.1.2+dfsg-28.2.0development
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) 2.3.1-92.9.0-22.9.0-22.9.1molecular-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-34.3.0+dfsg-24.3.0molecular-dynamics
pdb-tools (PTS, VCS, UP) 2.5.0-22.5.1-22.5.1-22.5.1crystallography
phonopy (PTS, VCS, UP) 2.17.1-12.23.1-12.23.1-12.33.3crystallography
prody (PTS, VCS, UP) 2.3.1+dfsg-32.4.1+dfsg-22.5.0rc0molecular-dynamics
promod3 (PTS, VCS, UP) 3.2.1+ds-63.4.1+ds-13.4.2molecular-modelling
psi4 (PTS, VCS, UP) 1.3.2+dfsg-51.3.2+dfsg-51.9.1molecular-abinitio
psicode (PTS, VCS, UP) 3.4.0-63.4.0-63.4.0molecular-abinitio development
pycifrw (PTS, VCS, UP) 4.4.4-34.4.6-44.4.6-44.4.6input-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
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
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) 2.0-62.0-62.0-6analytical-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) 2.7.6.0-32.7.6.0-32.7.6.0-32.7.6.0visualisation
raster3d (PTS, VCS, UP) 3.0-7-23.0-7-23.0-7-23.0-7visualisation
rdkit (PTS, VCS, UP) 202209.3-1202409.2-2202409.4cheminformatics
scalapack (PTS, VCS, UP) 2.2.1-22.2.1-72.2.1-72.2.1development
shelxle (PTS, VCS, UP) 1.0.1472-11.0.1552-11.0.1552-11.0.1703visualisation crystallography
smiles-scripts (PTS, VCS, UP) 0.2.0+dfsg1-40.2.0+dfsg1-60.2.0+svn754+branch+system+deps-10.2.0+svn754cheminformatics
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
v-sim (PTS, VCS, UP) 3.7.2-93.7.2-9visualisation
votca (PTS, VCS, UP) 2022.1-12024.1-12024.2-12024.2molecular-dynamics
wannier90 (PTS, VCS, UP) 3.1.0+ds-73.1.0+ds-103.1.0+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) 1.11.0-41.11.1-21.11.1-21.11.1view-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