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A Python library for automating TOUGH2 simulations of subsurface fluid and heat flow

pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LAMMPS. It is almost, but not quite, entirely unlike ASE, with some tools extending numpy/scipy. It has a set of powerful parsers and data types for storing calculation data.

Pre- and post-processing Python library for TOUGH

Rdfrules ⭐ 23

RDFRules: Analytical Tool for Rule Mining from RDF Knowledge Graphs

Swprepost ⭐ 14

A Python package for surface-wave inversion pre- and post-processing.

Distributed Translation Infrastructure ⭐ 11

The distributed statistical machine translation infrastructure consisting of load balancing, text pre/post-processing and translation services. Written in C++ 11 and utilises multicore CPUs by employing multi-threading, allows for secure SSL/TLS communications.

A collection of tools for pre-processing, simulating, and post-processing vascular morphologies.

Python Interface for Quantum Espresso and EPW codes.

Datacurator.jl ⭐ 7

A scalable Julia package to transparently validate and transform large biomedical datasets using human readable recipes that are translated to machine verifiable templates.

Vasptools ⭐ 5

Commands to run VASP jobs automatically. Pre-processing or post-processing

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