Code and other materials for the S2I2 Software Summer School
☆12Mar 11, 2017Updated 9 years ago
Alternatives and similar repositories for S2I2
Users that are interested in S2I2 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- http://guyrt.github.io/2015-06-21-s2i2/☆30Jun 23, 2015Updated 10 years ago
- C++ library for the implementation of tensor product calculations through a clean, concise user interface.☆26Aug 22, 2023Updated 2 years ago
- optking: A molecular geometry optimization program☆27Aug 22, 2025Updated 7 months ago
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 3 years ago
- Web client code for the MongoChem project☆10Mar 3, 2021Updated 5 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.
- Geometrical Counter-Poise Correction☆14Nov 19, 2024Updated last year
- MolSSI Integral Reference Project☆29Feb 27, 2021Updated 5 years ago
- Collection of scripts to build PyTorch and the domain libraries from source.☆14Apr 1, 2026Updated 2 weeks ago
- Getting started docs, examples, tutorials, and use cases.☆11Jun 15, 2021Updated 4 years ago
- Kubernetes operator for local LLM inference with llama.cpp, vLLM, and TGI - multi-GPU, autoscaling, air-gapped, production-ready☆48Apr 11, 2026Updated last week
- PandaModels is the developing Julia package that contains supplementary data and codes to prepare pandapower networks in a compatible for…☆13Sep 21, 2025Updated 6 months ago
- ☆17Nov 18, 2025Updated 5 months ago
- GitHub action to setup apptainer☆17Jan 7, 2025Updated last year
- Python module for VPT2 calculations using Psi4 and QCEngine.☆18May 31, 2025Updated 10 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Provides compile-time contraction pattern analysis to determine optimal tensor operation to perform.☆70Mar 18, 2026Updated last month
- rrc - Manage remote repository clones☆16Mar 31, 2026Updated 2 weeks ago
- A PSI4 plugin for X-ray absorption spectra (XPS, NEXAFS, PP-NEXAFS)☆11May 15, 2024Updated last year
- A variational 2-RDM-driven CASSCF plugin to Psi4☆11Mar 10, 2021Updated 5 years ago
- Modular computation tool chain library☆22Mar 4, 2026Updated last month
- The link to the website is at☆14Aug 12, 2015Updated 10 years ago
- Source of BLAS via BLIS☆13May 6, 2024Updated last year
- GPU-accelerated coupled cluster with density fitting☆18Jun 26, 2018Updated 7 years ago
- Argonne Leadership Computing Facility OpenCL tutorial☆10Aug 22, 2025Updated 7 months ago
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Build a 3D Web application using VTK or ParaView while only writing a Python script. This project aims to streamline the existing ParaVie…☆24Jun 3, 2022Updated 3 years ago
- Set of scripts to automate the calculation of crystal lattice energies.☆14Oct 17, 2024Updated last year
- git-archive with recursive submodule support☆16Jul 13, 2025Updated 9 months ago
- QUICK, a GPU-enabled ab intio quantum chemistry software. Now move to the main branch: https://github.com/merzlab/QUICK☆11Jan 19, 2015Updated 11 years ago
- Reusable DFT Grids for the Masses☆19Feb 6, 2026Updated 2 months ago
- Better PyPI interoperability for the conda ecosystem☆26Updated this week
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆74Jul 15, 2025Updated 9 months ago
- C library containing high resolution timer implementation for several platforms.☆10Oct 20, 2020Updated 5 years ago
- Fast continuum solvation based on domain decomposition☆27Apr 10, 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.
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆61Apr 7, 2026Updated last week
- OpenMP GPU Accelerated Applications☆13Nov 20, 2025Updated 4 months ago
- Simple LBM kernels for benchmarking and performance evaluation☆14Jun 6, 2018Updated 7 years ago
- Symbiotic computational chemistry; Public repository.☆20Jan 12, 2018Updated 8 years ago
- ☆19Mar 17, 2026Updated last month
- Damselfly Network Simulator☆10Nov 19, 2020Updated 5 years ago
- Create and manage your Notebooks on Kubernetes with ease.☆21Mar 10, 2023Updated 3 years ago