scientific-python

Python library for simulating heat transfer processes

Unofficial Python tools for querying NIST Chemistry WebBook pages and extracting molecular-property records.

Unofficial Python client for ILThermo 2.0 with SMILES-enriched ionic-liquid data for cheminformatics, thermodynamics, and ML workflows.

A tiny, typed, sequential pipeline engine for Python

Open source project funding visibility and governance platform for NumFOCUS.

Physics-aware diffusion MRI reconstruction and tractography stress-testing framework

A unified Python workflow for POD, MPOD, DMD, SPOD, PSD-POD, BSMD, and ST-POD on spatiotemporal data

Coupled Atmosphere-Wildfire Model Implementation

Convert optical simulation requests into validated, solver-ready spec JSON.

Preview mosaics, sub-pixel alignment and border cropping for Nanonis .sxm and RHK .sm4 scanning-probe-microscopy data - a tested, pip-installable Python package.

Scientific computing platform on NumPy/SciPy/pandas/matplotlib: linear algebra, stats, optimization, signals, ML, information theory, chaos, Bayes, metaheuristics, geometry and RL. Package scientific-computing-system-2.0, import cds2, current release 5.4.5.

Swap in an accelerated implementation of a library without changing the code that calls it. Built for GPU, MPI, and HPC engines that ship separately.

Open research-code package for exploring CNRS: complex-base representation, CNRS-float, branch-aware complex-state workflows, and CNRS-H scale-law calculus. Part of a broader research programme on scale, representation, and complex-state preservation.

LDSFL-Meander is a Python reduced morphodynamic model for meandering rivers, with CLI and GUI workflows, dimensional/dimensionless inputs, geometry preprocessing, and reproducible planform simulations.

ZenReg is a Python-based high-throughput, memory-efficient pipeline for N-dimensional image registration, designed for large microscopy and imaging datasets.

This repository connects AniSOAP descriptors to ASE energy models through an explicit calculator interface, with optional finite-difference forces. It was developed during Fall 2025 OSPO internship with the Cersonsky Lab at UW–Madison.

Coupled thermohygro-electrochemical CUI simulator with DFOS-informed inverse problem (Integrity Code Series, Week 9). Two PDEs + Butler-Volmer kinetics, Strang splitting, 156 tests, full CI/CD.

Link HoloD3 per-frame 3D particle detections into temporal trajectories

面向科学与工程数据的 Python 工具：提供本地中文工作台、命令行与 API，支持 CSV 字段确认、规则校验、单位转换及可追溯报告。

Track Bader charges, ELF/QTAIM topology, and LOBSTER ICOHP across VASP NEB and ordered periodic structure series.