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xrayutilities - a package with useful scripts for X-ray diffraction physicists
Distributed, offline-first bug tracker embedded in git, with bridges
Home of the X-ray Diffraction Data Hirshfeld Atom Refinement in Python
The fastest way to create an HTML app
A lightweight library for portable low-level GPU computation using WebGPU.
An alembic/sqlalchemy extension for migrating sql views, functions, triggers, and policies
Build applications that make decisions (chatbots, agents, simulations, etc...). Monitor, trace, persist, and execute on your own infrastructure.
Convert XYZ data to bond lengths & angles, calculate contacts, planes and dihedral angles and print tables
The fastest memoizing and caching Python library written in Rust.
A point cloud segmentation algorithm based on clustering analysis
A lightweight, object-oriented finite state machine implementation in Python with many extensions
A fast and simple method for multi-planes detection from point cloud
A tool (and pre-commit hook) to automatically upgrade syntax for newer versions of the language.
The mighty, self-hostable Git server for the command line🍦
Mitsuba 3: A Retargetable Forward and Inverse Renderer
A C++20 library for fast serialization, deserialization and validation using reflection. Supports JSON, BSON, CBOR, flexbuffers, msgpack, TOML, XML, YAML / msgpack.org[C++20]
C++ Insights - See your source code with the eyes of a compiler
Entity relationship diagrams for Python data model classes like Pydantic
A utility for sending emails with attachments. Currently only Gmail is supported.
Automatic generation of crystal structure descriptions.
An embeddable webGL molecule viewer and file format converter.
WebGL accelerated JavaScript molecular graphics library
A CIF file finalizer for small molecule crystallography with as much automation as possible.
Use a docx as a jinja2 template