Graph-based molecule modeling toolkit for cheminformatics
- cheminformatics
- molecular-modeling
- chemistry
- toolkit
Repository Index
47,133 repositories indexed
289–312 of 525 · Most stars
Wide-Integer implements a generic C++ template for uint128_t, uint256_t, uint512_t, uint1024_t, etc.
- high-performance
- embedded-systems
- multiprecision
- numerical
D3 plugin which computes a treemap based on a Voronoi tesselation
Mir (backports): Sparse tensors, Hoffman
- mir
- glas
- blas
- mir-glas
A formalization of geometry in Coq based on Tarski's axiom system
A Python package for the identification, characterization and comparison of spatial clusters from spatial -omics data.
Free (GPL) Common Lisp data analysis library with emphasis on modularity and conceptual clarity.
PyTorch Connectomics: segmentation toolbox for EM connectomics
- computer-vision
- neuroscience
- connectomics
- pytorch
Genetic Algorithms library written in Go / golang
Medical LLM agent and MRI segmentation workspace built on PharmaLLM, with LangGraph, vLLM, and BEU-Net.
A high-performance, high precision, zero allocation fixed-point decimal library for financial applications
- golang
- high-performance
- zero-allocation
- money
Cancer Imaging Phenomics Toolkit (CaPTk) is a software platform to perform image analysis and predictive modeling tasks. Documentation: https://cbica.github.io/CaPTk
- cancer-imaging-research
- radiomics
- radiomics-features
- machine-learning
A general library for geometry operations of union, intersections, difference, and xor
- computational-geometry
- union
- intersection
- xor
A command-line utility for quick math.
Practical volume computation and sampling in high dimensions
- geometry
- statistics
- polyhedral-computations
- random-walk
Fast Math Library for Delphi
- delphi-rtl
- delphi-fastmath
- fastmath
- overloaded-operators
The RAW JavaScript Quaternion library
- quaternion
- angle
- conjugate
- math
A collection of useful mathematical functions in Elixir with a slant towards statistics, linear algebra and machine learning
A Network Integration Approach for Drug-Target Interaction Prediction
A C# DICOM Library
- dicom
- medical-physics
- radiology
- radiation-oncology
:triangular_ruler: Orthogonal polynomials in all shapes and sizes.
- python
- mathematics
- engineering
- physics
A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discovery.
The official NFFT library repository
- nfft
- fftw
- fourier-transform
- c
Molecule Validation and Standardization
- rdkit
- python
- chemistry
- cheminformatics