PINY cleanup and new feature integration.
☆14Dec 9, 2016Updated 9 years ago
Alternatives and similar repositories for PINY
Users that are interested in PINY are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Analysing trajectories with chemfiles☆13Jan 6, 2023Updated 3 years ago
- Analyse Rotational Diffusion Tensor from MD Simulations☆22Oct 31, 2024Updated last year
- A package for molecular dynamics analysis and parallel tempering in GROMACS☆11May 25, 2021Updated 5 years ago
- This program computes the sum-frequency generation (SFG) spectrum for a give MD trajectory of interfacial water molecules. The program ca…☆13Jul 24, 2023Updated 3 years ago
- A simple Lennard-Jones molecular dynamics software☆30Jul 10, 2024Updated 2 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.
- Markov State Models on the Muller potential: a MSMBuilder Tutorial☆12Mar 18, 2013Updated 13 years ago
- Lennard Jones Molecular Dynamics in C++☆14Jun 17, 2016Updated 10 years ago
- Some C++ code for basic Molecular Dynamics simulations.☆12Sep 12, 2018Updated 7 years ago
- Welcome to the Vite Shadcn Boilerplate! This repository serves as a comprehensive starter template for rapidly setting up a Vite project …☆19Feb 1, 2024Updated 2 years ago
- ☆12Aug 27, 2020Updated 5 years ago
- A C++11 Template Library for Monte Carlo Integration☆17Aug 2, 2020Updated 6 years ago
- Python wrapper for packmol molecule packing program☆12Jan 4, 2016Updated 10 years ago
- Tools to make git easier to use and to avoid the learning curve☆21Apr 3, 2019Updated 7 years ago
- ropensci registry☆13Updated this week
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- ☆11Jan 12, 2015Updated 11 years ago
- NITROGEN is a Python package for rovibronic calculations for small molecules.☆17Jun 17, 2026Updated last month
- Code examples and demos for AIPI 520: Modeling Process and Algorithms☆13Sep 24, 2025Updated 10 months ago
- python scripts useful to users of computational chemistry software☆46Jun 8, 2022Updated 4 years ago
- Molecular dynamics workflow framework in python.☆12Nov 15, 2022Updated 3 years ago
- Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"☆24Aug 17, 2023Updated 2 years ago
- ☆10Jun 17, 2021Updated 5 years ago
- Multipurpose ab initio MD program.☆12Aug 1, 2026Updated last week
- Stencila for Python☆17Aug 3, 2018Updated 8 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.
- ARCHIVED Interface to USDA Databases☆13Mar 9, 2026Updated 5 months ago
- Lightweight, Portable, Flexible Distributed/Mobile Deep Learning with Dynamic, Mutation-aware Dataflow Dep Scheduler; for Python, R, Juli…☆12Aug 13, 2020Updated 5 years ago
- Using Gomacs from IPython notebook☆20Apr 8, 2014Updated 12 years ago
- ARCHIVED NatureServe R client☆11Updated this week
- ☆14Dec 14, 2024Updated last year
- ☆27Oct 24, 2025Updated 9 months ago
- Molecular Dynamics Simulation of Alanine Dipeptide and Dihedral Angle Analysis☆20Jan 2, 2024Updated 2 years ago
- C++ implementation of the smooth Particle-Mesh Ewald algorithm for dispersive forces. Moved to https://git.sr.ht/~jmbr/libpme6☆18Oct 11, 2017Updated 8 years ago
- An unfinished interactive Awk tutorial using Jupyter notebooks☆21Jan 27, 2016Updated 10 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- ☆10Jul 5, 2021Updated 5 years ago
- Code to support the paper: P. van Gerwen, K. R. Briling, C. Bunne, V. R. Somnath, R. Laplaza, A. Krause, C. Corminboeuf, "3DReact: Geomet…☆27Nov 6, 2025Updated 9 months ago
- An explainable Deep Machine Vision framework for Plant Stress Phenotyping☆15Jun 29, 2021Updated 5 years ago
- ☆14Oct 18, 2017Updated 8 years ago
- Slides and code for the 2016 useR! tutorial "Never Tell Me the Odds! Machine Learning with Class Imbalances"☆39Jun 27, 2016Updated 10 years ago
- Integrated Taxonomic Information Service (ITIS) R client☆16Feb 4, 2025Updated last year
- Molecular frequency-dependent response properties for arbitrary operators☆12Updated this week