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  • Computational Crystallography Toolbox

    Python Other Updated Mar 27, 2023
  • orient Public

    A ShelXL utility for Monte Carlo orientation of a rigid fragment such as disordered solvent.

    Python 2 GNU General Public License v3.0 Updated Jan 12, 2023
  • Vim Script Updated Dec 2, 2022
  • setuptools Public

    Forked from pypa/setuptools

    Official project repository for the Setuptools build system

    Python MIT License Updated May 26, 2022
  • LS49 Public

    Forked from nksauter/LS49
    Python Updated Mar 11, 2022
  • numexpr Public

    Forked from pydata/numexpr

    Fast numerical array expression evaluator for Python, NumPy, PyTables, pandas, bcolz and more

    Python MIT License Updated Feb 6, 2022
  • numpy Public

    Forked from numpy/numpy

    The fundamental package for scientific computing with Python.

    Python BSD 3-Clause "New" or "Revised" License Updated Dec 3, 2021
  • gdb-heap Public

    Forked from edmcman/gdb-heap

    Heap Analyzer for Python

    Python Other Updated Nov 18, 2021
  • mdg_scripts Public

    scripts for processing PSI data at NERSC

    Shell Updated Jun 4, 2021
  • Lattice Representation Library with test codes and programs for investigating spaces for 3-D lattices

    C++ Updated May 19, 2021
  • PSII_utils Public

    Python Updated Apr 16, 2021
  • HPC deployment scripts for the cctbx_project

    Python Updated Dec 16, 2020
  • 2twin Public

    Multiple independent twinning in ShelXL.

    Python 2 Updated Oct 28, 2020
  • GSASII Public

    Some GSASII modifications

    Python Updated Oct 26, 2020
  • gfel Public

    Python Updated Aug 27, 2020
  • ADPcomp Public

    Measure projections of anisotropic ADPs along arbitrary axes.

    Python Updated Jul 11, 2020
  • dials Public

    Forked from dials/dials

    Diffraction Integration for Advanced Light Sources

    Python BSD 3-Clause "New" or "Revised" License Updated Jul 4, 2020
  • A few miscellaneous tools to support refinement of anomalous scattering factors in Jana2006.

    Python GNU General Public License v3.0 Updated May 4, 2020
  • backup Public

    Tools for backing up user data at CNI Labs

    Shell 1 Updated May 4, 2020
  • who Public

    Toy problem for ML classification with continuous and categorical data.

    Python Updated Aug 29, 2018
  • histopy Public

    BASH-esque command history for the Python3 interactive interpreter.

    Python MIT License Updated Aug 25, 2018