A Python module for fast computation of 2D and 3D radial distribution functions (RDFs).
☆33Aug 4, 2026Updated 2 months ago
Alternatives and similar repositories for rdfpy
Users that are interested in rdfpy are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Python-native(ish) implementation of Grimme's DFT-D3(BJ) correction for use in Atomic Simulation Environment (ASE)☆10Aug 23, 2019Updated 7 years ago
- A Benchmark for Extracting Experiments from Scientific Literature | ICML'26 AI4Science!☆17Jul 29, 2026Updated 3 months ago
- python library for particles tracking in 2D+t and 3D+t scientific images☆17Jun 5, 2024Updated 2 years ago
- An Introductory Fortran course delivered by the Imperial College London Early Career Researcher Institute.☆17Oct 9, 2026Updated 2 weeks ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆20May 7, 2020Updated 6 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Example code from shocksolution.com☆93Jun 24, 2019Updated 7 years ago
- ☆15Feb 17, 2025Updated last year
- A high performance mapping class to construct ElM2D plots from large datasets of inorganic compositions.☆10Oct 8, 2026Updated 3 weeks ago
- generalized machine learning potential eqnorm☆14Jun 30, 2025Updated last year
- Scanning probe microscopy simulation tools based on CP2K☆15Oct 15, 2026Updated 2 weeks ago
- Python implementation of the standard Lanczos Algorithm to find the m "most useful" eigenvalues of a Hermitian matrix.☆13Jul 25, 2022Updated 4 years ago
- QuantNBody : a python package for quantum chemistry/physics to manipulate many-body operators and wave functions.☆15Mar 10, 2026Updated 7 months ago
- DFT-D3 interface☆12Apr 3, 2023Updated 3 years ago
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆88Updated this week
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- A python library for extracting memory kernels and adding colored noise to MD simulations☆11Sep 11, 2026Updated last month
- A flexible and performant framework for training machine learning potentials.☆39Oct 19, 2026Updated last week
- Bayesian Particle Instance Segmentation for Electron Microscopy Image Quantification (JCIM 2021).☆23Mar 11, 2024Updated 2 years ago
- Flexible solvation benchmark and analysis tool for evaluating (implicit) solvation models on the large and conformationally flexible mole…☆15Apr 2, 2026Updated 6 months ago
- ☆13Jul 17, 2025Updated last year
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆22Feb 17, 2023Updated 3 years ago
- ☆17Apr 22, 2025Updated last year
- Code for the paper "Deep learning of thermodynamics-aware reduced-order models from data" published in Computer Methods in Applied Mechan…☆14Aug 18, 2023Updated 3 years ago
- STM-2DScan.py is a postprocessing script for VASP code to generate STM images based on DFT-calculations. It firstly imports volumetric d…☆15Mar 30, 2020Updated 6 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- This repository gathers the NNAIMGUI code along with some instructions and readme files.☆10Mar 22, 2024Updated 2 years ago
- Fast, open RMSD_n crystal-packing similarity for molecular crystals (OXtalign)☆23Sep 18, 2026Updated last month
- FLOSIC code is used for performing self-interaction corrected (SIC) density functional approximation calculations. Fermi Löwdin orbital i…☆17Sep 11, 2025Updated last year
- Predict materials properties using only the composition information!☆18Jun 4, 2025Updated last year
- Vote on whether you think predicted crystal structures could be synthesised☆18Jul 29, 2024Updated 2 years ago
- How to build a simple alignment laser for typical optical alignment tasks.☆18Apr 16, 2026Updated 6 months ago
- Python code for generating all the possible molecules starting from a chemical formula☆10Dec 25, 2023Updated 2 years ago
- More efficient and faster version of pyscal☆31Oct 8, 2026Updated 3 weeks ago
- Adds Orb Model functionality to LAMMPS via Python wrapping☆15Apr 1, 2025Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Molecular kaleidoscope☆15Apr 11, 2018Updated 8 years ago
- Evaluation of universal machine learning force-fields https://doi.org/10.1021/acsmaterialslett.5c00093☆14Jul 8, 2025Updated last year
- SHRY (Suite for High-throughput generation of models with atomic substitutions implemented by python) is a tool for generating unique ord…☆15Feb 16, 2026Updated 8 months ago
- Python program to generate NetworkX graphs from segmented images.☆15Apr 14, 2023Updated 3 years ago
- Python course designed for grad students of the Physics & Astronomy department of the University of Western Ontario.☆12Mar 8, 2023Updated 3 years ago
- A small tool to track the cell trajectories with Matlab.☆12Dec 6, 2021Updated 4 years ago
- This is a repository containing notebooks demonstrating along corresponding with YouTube videos, coding strategies to various problems.☆10Aug 23, 2021Updated 5 years ago