Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
pypi.org "crystallography" keyword
Top 2.5% on pypi.org
48 versions - Latest release: 3 months ago - 44 dependent packages - 37 dependent repositories - 16.5 thousand downloads last month - 199 stars on GitHub - 1 maintainer
gemmi 0.6.5
library for structural biology48 versions - Latest release: 3 months ago - 44 dependent packages - 37 dependent repositories - 16.5 thousand downloads last month - 199 stars on GitHub - 1 maintainer
pycotem 2.12.0
A python package for working with crystal orientations in transmission electron microscopy35 versions - Latest release: 2 months ago - 1 dependent repositories - 122 downloads last month - 8 stars on GitHub - 1 maintainer
mcu 1.0.1
Modeling and Crystallographic Utilities1 version - Latest release: about 1 year ago - 33 downloads last month - 41 stars on GitHub - 1 maintainer
pyobjcryst 2.2.6
Python bindings to the ObjCryst++ library.11 versions - Latest release: about 1 year ago - 2 dependent repositories - 51 downloads last month - 15 stars on GitHub - 4 maintainers
molecular3dlengthdescriptors 1.1.0
A 3D conformational based molecular descriptor set.4 versions - Latest release: about 3 years ago - 1 dependent repositories - 12 downloads last month - 5 stars on GitHub - 1 maintainer
pynics 0.1.1
Computing Nuclear Independent Chemical Shifts1 version - Latest release: about 2 years ago - 1 dependent repositories - 13 downloads last month - 1 maintainer
Top 4.8% on pypi.org
65 versions - Latest release: 22 days ago - 8 dependent packages - 3 dependent repositories - 5.15 thousand downloads last month - 228 stars on GitHub - 1 maintainer
pyxtal 0.6.6
Python code for generation of crystal structures based on symmetry constraints.65 versions - Latest release: 22 days ago - 8 dependent packages - 3 dependent repositories - 5.15 thousand downloads last month - 228 stars on GitHub - 1 maintainer
pydrex 0.0.1
Dynamic CPO calculations for olivine-enstatite polycrystal aggregates2 versions - Latest release: about 1 month ago - 262 downloads last month - 2 stars on GitHub - 1 maintainer
soprano 0.8.13
A Python library to crack crystals18 versions - Latest release: over 2 years ago - 2 dependent packages - 2 dependent repositories - 316 downloads last month - 7 stars on GitHub - 2 maintainers
pymicro 0.5.1
An open-source Python package to work with material microstructures and 3d data sets4 versions - Latest release: over 3 years ago - 1 dependent repositories - 26 downloads last month - 38 stars on GitHub - 1 maintainer
slices 1.4.12
Invertible crystal representation (SLICES)12 versions - Latest release: 23 days ago - 428 downloads last month - 36 stars on GitHub - 1 maintainer
cctbx 2020.8
The Computational Crystallography Toolbox1 version - Latest release: over 3 years ago - 1 dependent repositories - 10 downloads last month - 205 stars on GitHub - 1 maintainer
cctbx-base 2020.8
The Computational Crystallography Toolbox1 version - Latest release: over 3 years ago - 3 dependent repositories - 5 downloads last month - 205 stars on GitHub - 1 maintainer
rs-booster 0.1.1
Useful scripts for analyzing diffraction5 versions - Latest release: 10 months ago - 2 dependent packages - 1 dependent repositories - 211 downloads last month - 3 stars on GitHub - 1 maintainer
pycrystallography 0.2.1
Python 3 package being written to illustrate crystallography12 versions - Latest release: about 3 years ago - 1 dependent repositories - 73 downloads last month - 5 stars on GitHub - 1 maintainer
pypointgroup 2.0.18
Point group symmetry study software15 versions - Latest release: over 1 year ago - 1 dependent repositories - 44 downloads last month - 4 stars on GitHub - 1 maintainer
symmetry 0.0.1
Symmetry is a library for materials symmetry analysis.2 versions - Latest release: about 10 years ago - 3 dependent repositories - 92 downloads last month - 1 maintainer
spgrep 0.3.4
On-the-fly generator of space-group irreducible representations10 versions - Latest release: about 1 year ago - 2 dependent packages - 80 downloads last month - 44 stars on GitHub - 1 maintainer
aleph 1.3.1
ALEPH is a bioinformatics tool for structure interpretation and generation of fragment-based libr...17 versions - Latest release: over 3 years ago - 1 dependent repositories - 151 downloads last month - 1 maintainer
structurefinder 80 💰
Search X-ray structures on your hard drive11 versions - Latest release: 4 months ago - 114 downloads last month - 13 stars on GitHub - 1 maintainer
dans-diffraction 3.0.0
Generate diffracted intensities from crystals16 versions - Latest release: 11 months ago - 1 dependent repositories - 339 downloads last month - 38 stars on GitHub - 1 maintainer
Top 7.7% on pypi.org
32 versions - Latest release: 9 months ago - 9 dependent packages - 5 dependent repositories - 506 downloads last month - 27 stars on GitHub - 2 maintainers
reciprocalspaceship 1.0.1
Tools for exploring reciprocal space32 versions - Latest release: 9 months ago - 9 dependent packages - 5 dependent repositories - 506 downloads last month - 27 stars on GitHub - 2 maintainers
average-minimum-distance 1.5.3
Descriptors of crystals based on geometry (isometry invariants).31 versions - Latest release: 2 months ago - 1 dependent package - 1 dependent repositories - 227 downloads last month - 18 stars on GitHub - 1 maintainer
pyboo 1.0.0
A Python package to compute bond orientational order parameters1 version - Latest release: over 6 years ago - 1 dependent repositories - 18 downloads last month - 27 stars on GitHub - 1 maintainer
dsr-shelx 242 💰
A program to model disorder in small-molecule X-ray structures6 versions - Latest release: 8 months ago - 87 downloads last month - 5 stars on GitHub - 1 maintainer
dials 0.0.1
Diffraction Integration for Advanced Light Sources1 version - Latest release: almost 5 years ago - 1 dependent repositories - 18 downloads last month - 63 stars on GitHub - 1 maintainer
xia2 0.6.0
An expert system for automated reduction of X-Ray diffraction data from macromolecular crystals1 version - Latest release: almost 5 years ago - 1 dependent repositories - 11 downloads last month - 18 stars on GitHub - 1 maintainer
hikari-toolkit 0.2.3
A high-level tool for manipulating crystallographic files6 versions - Latest release: almost 2 years ago - 1 dependent repositories - 81 downloads last month - 2 stars on GitHub - 1 maintainer
Top 3.5% on pypi.org
28 versions - Latest release: about 1 month ago - 11 dependent packages - 10 dependent repositories - 8.17 thousand downloads last month - 77 stars on GitHub - 4 maintainers
orix 0.12.1
orix is an open-source Python library for handling crystal orientation mapping data.28 versions - Latest release: about 1 month ago - 11 dependent packages - 10 dependent repositories - 8.17 thousand downloads last month - 77 stars on GitHub - 4 maintainers
Top 3.1% on pypi.org
29 versions - Latest release: about 1 year ago - 30 dependent packages - 86 dependent repositories - 28.8 thousand downloads last month - 102 stars on GitHub - 1 maintainer
seekpath 2.1.0
A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zon...29 versions - Latest release: about 1 year ago - 30 dependent packages - 86 dependent repositories - 28.8 thousand downloads last month - 102 stars on GitHub - 1 maintainer
prodigy-cryst 1.0.1
Predicts if a protein complex interface is biological or crystallographic.2 versions - Latest release: 27 days ago - 286 downloads last month - 7 stars on GitHub - 1 maintainer
finalcif 137 💰
CIF file editor22 versions - Latest release: about 1 month ago - 202 downloads last month - 11 stars on GitHub - 1 maintainer
xtal2png 0.9.4
Encode and decode crystal structures via portable networks graphics (PNG) files.24 versions - Latest release: almost 2 years ago - 1 dependent package - 1 dependent repositories - 158 downloads last month - 34 stars on GitHub - 1 maintainer
xcore 0.7.2
Crystallographic space group library in Python3 versions - Latest release: almost 7 years ago - 1 dependent repositories - 38 downloads last month - 8 stars on GitHub - 1 maintainer
traytable 0.2.1
A python package for tabulating crystallization results across many trays15 versions - Latest release: about 2 years ago - 1 dependent repositories - 140 downloads last month - 1 stars on GitHub - 1 maintainer
tilde 0.9.4
Materials informatics framework for ab initio data repositories3 versions - Latest release: about 4 years ago - 2 dependent repositories - 38 downloads last month - 18 stars on GitHub - 1 maintainer
shelxfile 18 💰
A parser for SHELXL results files18 versions - Latest release: 24 days ago - 1 dependent package - 2 dependent repositories - 736 downloads last month - 11 stars on GitHub - 1 maintainer
scibase 0.0.0
A LIMS for Structural Biology1 version - Latest release: about 2 years ago - 1 dependent repositories - 6 downloads last month - 1 maintainer
Top 5.4% on pypi.org
14 versions - Latest release: about 1 month ago - 2 dependent packages - 21 dependent repositories - 2.4 thousand downloads last month - 87 stars on GitHub - 1 maintainer
robocrys 0.2.9
Automatic generation of crystal structure descriptions14 versions - Latest release: about 1 month ago - 2 dependent packages - 21 dependent repositories - 2.4 thousand downloads last month - 87 stars on GitHub - 1 maintainer
pycrystal 1.0.16
Utilities for ab initio modeling suite CRYSTAL13 versions - Latest release: over 1 year ago - 1 dependent repositories - 219 downloads last month - 10 stars on GitHub - 2 maintainers
pvct 0.0.0
A program to construct a pseudo-variable count time diffraction pattern from many fixed-time diff...1 version - Latest release: over 2 years ago - 1 dependent repositories - 16 downloads last month - 0 stars on GitHub - 1 maintainer
pieface 1.1.0
A program for calculating minimum bounding ellipsoids forcrystallographic polyhedra and various r...2 versions - Latest release: almost 7 years ago - 1 dependent repositories - 22 downloads last month - 7 stars on GitHub - 1 maintainer
pdcifplotter 0.1.3
A program for visualising diffraction data in pdCIF format.16 versions - Latest release: over 1 year ago - 1 dependent repositories - 130 downloads last month - 4 stars on GitHub - 1 maintainer
parse-fmt 0.5.2
A Python parser for CASTEP fmt files (densities, potentials etc.)3 versions - Latest release: over 2 years ago - 1 dependent package - 1 dependent repositories - 72 downloads last month - 0 stars on GitHub - 1 maintainer
octadist 3.1.0
OctaDist: A tool for calculating distortion parameters in molecule.10 versions - Latest release: 2 months ago - 1 dependent repositories - 236 downloads last month - 15 stars on GitHub - 1 maintainer
mpds-client 0.0.22
MPDS platform API client15 versions - Latest release: over 4 years ago - 1 dependent repositories - 358 downloads last month - 6 stars on GitHub - 2 maintainers
moleview 1.1
MoleView: view your molecule anywhere and anytime.2 versions - Latest release: almost 3 years ago - 1 dependent repositories - 30 downloads last month - 24 stars on GitHub - 1 maintainer
meerkat 0.3.7
A program for reciprocal space reconstruction14 versions - Latest release: over 3 years ago - 2 dependent repositories - 120 downloads last month - 9 stars on GitHub - 1 maintainer
gb-code 1.0.0
A GB generation code1 version - Latest release: over 3 years ago - 1 dependent repositories - 18 downloads last month - 53 stars on GitHub - 1 maintainer
fp3 0.0.1
Faster Parallel Processing Pipeline1 version - Latest release: over 3 years ago - 1 dependent repositories - 11 downloads last month - 0 stars on GitHub - 1 maintainer
Top 8.2% on pypi.org
1 version - Latest release: 9 months ago - 1 dependent package - 2 dependent repositories - 4 maintainers
diffpy 1.0
Top-level namespace package for the DANSE-diffraction software1 version - Latest release: 9 months ago - 1 dependent package - 2 dependent repositories - 4 maintainers
crystalmapping 0.3.0
A python package to do crystal mapping.5 versions - Latest release: over 1 year ago - 1 dependent repositories - 35 downloads last month - 1 stars on GitHub - 2 maintainers
spinspg 0.1.2
Python package for detecting spin space group on top of spglib1 version - Latest release: 10 months ago - 12 downloads last month - 7 stars on GitHub - 1 maintainer
cdef 1.0
Compute small-angle scattering form factors for arbitrary shapes1 version - Latest release: over 2 years ago - 160 downloads last month - 42 stars on GitHub - 1 maintainer
Top 7.3% on pypi.org
30 versions - Latest release: over 1 year ago - 3 dependent packages - 9 dependent repositories - 818 downloads last month - 40 stars on GitHub - 1 maintainer
crystals 1.6.2 💰
Data structures for crystallography30 versions - Latest release: over 1 year ago - 3 dependent packages - 9 dependent repositories - 818 downloads last month - 40 stars on GitHub - 1 maintainer
ciftostr 0.2.0
A small utility to convert crystal structures in CIF format into TOPAS STR format.5 versions - Latest release: over 1 year ago - 1 dependent repositories - 66 downloads last month - 0 stars on GitHub - 1 maintainer
arcimboldo 1.0.23
a suite of programs for x-ray diffraction structure solution20 versions - Latest release: about 2 months ago - 178 downloads last month - 3 maintainers
babelscan 0.5.2
BabelScan is a format independent data structure for holding different types of data from a scan ...2 versions - Latest release: almost 3 years ago - 1 dependent repositories - 39 downloads last month - 1 stars on GitHub - 1 maintainer
symd 1.1.2
Symmetric Molecular Dynamics6 versions - Latest release: over 1 year ago - 1 dependent repositories - 75 downloads last month - 43 stars on GitHub - 1 maintainer
cfml 0.0.3
The Crystallographic Fortran Modules Library (CrysFML) is a set of modules containing procedures ...2 versions - Latest release: about 2 years ago - 1 dependent repositories - 76 downloads last month - 1 maintainer
chmpy 1.1.5
Molecules, crystals, promolecule and Hirshfeld surfaces using python.9 versions - Latest release: 3 months ago - 910 downloads last month - 18 stars on GitHub - 1 maintainer
structuregraph-helpers 0.0.9
Utilities for working with structure graphs9 versions - Latest release: almost 2 years ago - 3 dependent packages - 79 downloads last month - 9 stars on GitHub - 1 maintainer
atompack 0.4.3
A flexible Python library for atomic structure generation.8 versions - Latest release: over 3 years ago - 1 dependent repositories - 50 downloads last month - 0 stars on GitHub - 1 maintainer
mxdc 2020.8.24
Mx Data Collector1 version - Latest release: about 3 years ago - 1 dependent repositories - 15 downloads last month - 3 stars on GitHub - 1 maintainer
Related Keywords
python
15
materials-science
12
diffraction
10
chemistry
7
neutron
7
crystal
6
symmetry
6
materials
6
cif
5
materials-informatics
5
computational-chemistry
5
crystal-structure
5
structure
4
shelxl
4
x-ray
4
computational chemistry
4
bioinformatics
4
machine-learning
4
physics
3
molecule
3
descriptor
3
ccpnc
3
powder diffraction
3
synchrotron
3
X-ray
3
xray
3
informatics
3
xray-diffraction
3
macromolecular
3
CIF
3
cctbx
2
cryo-em
2
phenix
2
distortion
2
science
2
database
2
nmr
2
Molecular visualization
2
hacktoberfest
2
python3
2
vasp
2
structural
2
biology
2
3d
2
first-principles
2
dials
2
atom
2
structural-biology
2
ab-initio
2
structures
2
CRYSTAL
2
editor
1
quantum-espresso
1
spin-crossover
1
octahedral distortion parameter
1
VASP
1
Quantum-ESPRESSO
1
crystal-hits
1
structural analysis
1
space-group
1
image-processing
1
stoe
1
coordination-chemistry
1
mmCIF
1
hacktoberfest2022
1
inorganic-chemistry
1
octahedral-distortion
1
gaussian
1
emsl
1
gaussian-lcao
1
crystal-ab-initio
1
computational-materials
1
atomistic-simulations
1
abinitio-simulations
1
abinitio
1
Polyhedra
1
Crystallography
1
Materials
1
Analysis
1
Distortion
1
coordination-polyhedron
1
ab-initio-simulations
1
ellipsoids
1
laboratory
1
management
1
lims
1
computational
1
parser
1
inorganic chemistry
1
coordination complex
1
debye-scattering-equation
1
saxs
1
material science
1
structural biology
1
indexing-algorithms
1
Rietveld
1
TOPAS
1
nexus
1
nexusformat
1
hdf
1