A Geometry library for Elixir that calculates spatial relationships between two geometries
- spatial-analysis
- geospatial
- gis
- geometry
Repository Index
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Optimising chemical reactions using machine learning
- chemistry
- machine-learning
- optimization
- bayesian-optimization
Chemical 2D structure editor application/applet based on the Chemistry Development Kit
- blueobelisk
- java
- chemistry
Model ChemLab: Virtual Chemistry Lab Simulation for Windows
- acid-base-titration
- download-model-chemlab
- fractional-crystallization
- home-education
A GDScript port of Delaunator: A fast library for Delaunay triangulation of 2D points.
- computational-geometry
- algorithm
- gdscript
- delaunay
The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time independent Schrödinger equation.
An ActionScript 3 Geometry Library
Tiny header-only C++17 library for lat/lng geometry: distance, bearing, area, point-in-polygon and path proximity
- cpp
- geometry
- geospatial
- gis
2d geometry for golang
A powerful library extending VBA with over 100 functions for math, stats, finance, and data manipulation. It supports matrix operations, and user-defined functions, enhancing automation and analysis within Microsoft Office and LibreOffice environments for data management, financial calculations, an more.
- equation-systems
- mathematical-expression-parser
- mathematical-expressions-evaluator
- determinant-calculation
Common Lisp package for simple two dimensional computational geometry.
AS3 port of hxGeomAlgo - Small collection of geometry algorithms in Haxe 3.
2D triangulation library. Allows translating lines and polygons (both based on points) to the language of GPUs.
- triangulation
- computational-geometry
- golang
Multi-stage Riemannian flow matching for physically valid molecular docking, with GNINA scoring, PoseBusters filtering, CLI inference, and benchmarks.
- alphafold3
- docking
- drug-design
- drug-discovery
UV-first benchmark for protein-ligand docking with reproducible annotation, pocket similarity, and HPC workflows.
- benchmark
- bioinformatics
- cheminformatics
- computational-chemistry
2d Vector for Haxe
- haxe
- vector
- geometry
Simple, reliable .NET libraries covering numbers, geometry and data structures
- collections
- geometry
- numerics
- csharp
Astronomical FITS image analysis tool for detecting asteroids, comets, satellites, moving objects, and transients in astrophotography data.
- astronomy
- astronomy-software
- astrophotography
- moving-object-detection
Constructive Solid Geometry for Actionscript 3
Simple webapp for generating small ligand conformers
- computational-biology
- computational-chemistry
- conformer-generation
- rdkit
Histology Topography Cytometry Analysis Toolbox