Gold-Standard Chemical Database 138 (GSCDB138)
☆33Mar 19, 2026Updated 3 weeks ago
Alternatives and similar repositories for GSCDB
Users that are interested in GSCDB are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Dyson equation solvers for Green's function methods☆12Feb 25, 2026Updated last month
- This repository contains wrapper scripts compatible with the otool_external interface in ORCA.☆42Apr 8, 2026Updated last week
- CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…☆13Oct 25, 2023Updated 2 years ago
- Open Orbital Optimizer☆34Jan 25, 2026Updated 2 months ago
- n2v: Density-to-potential Inversion Suite☆24Aug 29, 2022Updated 3 years 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.
- Ab Initio Energies☆10Nov 22, 2025Updated 4 months ago
- ☆12May 10, 2024Updated last year
- Multi-collinear functional☆10Feb 12, 2026Updated 2 months ago
- Python-based plane wave density functional theory code for educational purposes☆33Mar 17, 2025Updated last year
- Symbolic manipulation of operator strings for quantum chemistry☆22Jan 10, 2023Updated 3 years ago
- QUICK: A GPU-enabled ab intio quantum chemistry software package☆203Apr 9, 2026Updated last week
- ☆118Jun 9, 2025Updated 10 months ago
- A high-performance toolkit for quantum and classical chemistry calculations.☆43Updated this week
- ☆19Jul 25, 2022Updated 3 years 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.
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Oct 30, 2024Updated last year
- An example to implement PBC SCF☆14Jul 10, 2018Updated 7 years ago
- A plugin to use Nvidia GPU in PySCF package☆295Updated this week
- Code generator for simint vectorized integrals☆29Mar 16, 2023Updated 3 years ago
- ☆25Nov 5, 2025Updated 5 months ago
- Coupled-cluster package written in Python.☆50Nov 17, 2025Updated 4 months ago
- CUDA implementations of MACE models☆23Aug 19, 2025Updated 7 months ago
- Julia implementation of various electron-correlation methods (main focus on coupled cluster methods).☆23Mar 12, 2026Updated last month
- ☆15Nov 13, 2022Updated 3 years ago
- 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.
- Library for local orbital scaling correction (LOSC).☆18Jul 4, 2024Updated last year
- Implementation of Koopmans-compliant functionals in Quantum ESPRESSO☆17Apr 8, 2026Updated last week
- Geometry optimization code that includes the TRIC coordinate system☆206Mar 27, 2026Updated 2 weeks ago
- GMTKN test sets in python☆11Dec 17, 2021Updated 4 years ago
- Pretrained model for molecular wavefunctions☆58Apr 3, 2026Updated last week
- A python script to obtain XYG3-type doubly hybrid (xDH) results using the standard Gaussian xx package (xx=03, 09 and/or 16)☆15Sep 21, 2022Updated 3 years ago
- Python interface for Q-Chem☆24Apr 7, 2026Updated last week
- ☆14Apr 7, 2026Updated last week
- Ab initio electronic structure beyond density function theory☆32Apr 2, 2026Updated 2 weeks 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.
- TBLIS is a library and framework for performing tensor operations, especially tensor contraction, using efficient native algorithms.☆143Dec 4, 2025Updated 4 months ago
- LibRPA is a library offering access to physical properties computed using many-body perturbation theory.☆16Mar 28, 2026Updated 2 weeks ago
- A step-by-step tutorial to code the McMurchie-Davidson scheme to compute molecular integrals☆10Jul 4, 2021Updated 4 years ago
- A mechanical Calling-Julia-from-Python library for Python 3.7+ and Julia 1.6+☆12Updated this week
- X3D for Atomic Simulation Environment☆15Nov 8, 2020Updated 5 years ago
- ☆67Jun 15, 2025Updated 10 months ago
- C++17 Wrapper for ScaLAPACK☆11Oct 5, 2023Updated 2 years ago