http://guyrt.github.io/2015-06-21-s2i2/
☆30Jun 23, 2015Updated 10 years ago
Alternatives and similar repositories for 2015-06-22-s2i2-git
Users that are interested in 2015-06-22-s2i2-git are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Code and other materials for the S2I2 Software Summer School☆12Mar 11, 2017Updated 9 years ago
- C++ library for the implementation of tensor product calculations through a clean, concise user interface.☆26Aug 22, 2023Updated 2 years ago
- This is obsolete. Use this:☆21Aug 6, 2016Updated 9 years ago
- Yet Another extended Hueckel Molecular Orbital Package☆28Mar 6, 2026Updated 2 months ago
- Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces☆76Jan 19, 2026Updated 4 months ago
- 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.
- Web client code for the MongoChem project☆10Mar 3, 2021Updated 5 years ago
- Master Equation system solver for determining (P,T)-dependent phenomenological rate constants☆24Feb 4, 2026Updated 3 months ago
- Fast, hackable molecular integrals☆13Jan 20, 2026Updated 4 months ago
- blend molecules!☆43Oct 13, 2025Updated 7 months ago
- Machine learning interatomic potential for condensed-phase reactive chemistry☆22Jun 6, 2024Updated last year
- DFTB parameter optimization tools☆12Oct 5, 2023Updated 2 years ago
- ☆17Nov 18, 2025Updated 6 months ago
- Python library for adaptive QM/MM methods☆28Feb 10, 2020Updated 6 years ago
- A distributed compute and database platform for quantum chemistry.☆160May 18, 2026Updated last week
- 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.
- Libint2 interface to Julia☆14Sep 10, 2020Updated 5 years ago
- Periodic table, physical constants, and molecule parsing for quantum chemistry.☆192Updated this week
- The project represents a Python framework for computing the electron transport characteristics using the non-equilibrium Green's function…☆12May 13, 2019Updated 7 years ago
- A selectable, scrollable list interface for terminal applications built using curses☆10Jun 30, 2015Updated 10 years ago
- This is the older version of our Python Package Development Workshop - Please see our updated materials -☆15May 21, 2020Updated 6 years ago
- A small Django app for managing schedules☆13Dec 26, 2022Updated 3 years ago
- Open source stochastic quantum chemistry☆81Dec 17, 2025Updated 5 months ago
- TOML implementation for MATLAB☆16Jan 27, 2025Updated last year
- REST API for controlling Google Chrome☆13Sep 23, 2015Updated 10 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.
- Quantum Refinement Module☆34Updated this week
- ChemLG is a smart and massive parallel molecular library generator for chemical and materials sciences.☆21Oct 16, 2020Updated 5 years ago
- Kubernetes operator for local LLM inference with llama.cpp, vLLM, TGI, and mlx-server — multi-GPU NVIDIA + Apple Silicon Metal, autoscali…☆109Updated this week
- python library for atomistic machine learning☆97May 20, 2026Updated last week
- MCP server for persistent Julia sessions — fast iteration without startup/compilation overhead☆63May 16, 2026Updated last week
- read HN from the command line☆15Sep 2, 2015Updated 10 years ago
- Better PyPI interoperability for the conda ecosystem☆31May 20, 2026Updated last week
- Python version of Grimme's D3-dispersion correction for compchem inputs/outputs☆19Feb 17, 2026Updated 3 months ago
- Proceedings from DjangoCon Europe 2015☆10Feb 14, 2016Updated 10 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- run async task in backend process☆14Apr 15, 2015Updated 11 years ago
- A software community tracker to highlight projects with a Code of Conduct and underrepresented authors/contributors.☆12Jul 7, 2015Updated 10 years ago
- A Django demo app using email + password auth with activation key☆10Apr 14, 2015Updated 11 years ago
- software package for tight-binding DFT calculations on ground and excited states of molecules☆13Feb 13, 2020Updated 6 years ago
- Symbiotic computational chemistry; Public repository.☆20Jan 12, 2018Updated 8 years ago
- ☆19Apr 28, 2026Updated last month
- Tracking citations of atomistic simulation engines☆27Apr 18, 2026Updated last month