The core of the SEAMM environment and graphical interface.
☆17Oct 30, 2026Updated last week
Alternatives and similar repositories for seamm
Users that are interested in seamm are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Stand-alone thermochemistry in python for ORCA and Gaussian.☆35Oct 21, 2024Updated 2 years ago
- Equivariant network to predict activation barriers and molecular orbitals through coefficients of molecular orbitals.☆14Feb 13, 2024Updated 2 years ago
- Website documentation for the VeloxChem program.☆18Oct 14, 2026Updated 3 weeks ago
- Workshop material for Data Analytics in Chemistry course☆13Updated this week
- ☆12Sep 21, 2026Updated last month
- 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.
- solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆44Oct 23, 2026Updated 2 weeks ago
- calculate chemical bond strength in solids, surfaces and molecules☆24Sep 6, 2025Updated last year
- ⚛ download and manipulate atomistic datasets☆49Nov 25, 2025Updated 11 months ago
- Program for Molecular Fock Dirac calculations☆12Apr 16, 2020Updated 6 years ago
- A very simple quantum chemistry program☆10Jan 4, 2019Updated 7 years ago
- Tutorial to learn basic features of atomate2☆15Sep 17, 2024Updated 2 years ago
- IANN (InterAtomic Neural Network) framework is an equivariant interatomic neural network potential framework package☆18Sep 23, 2026Updated last month
- A new python package to visualize molecules in dots hover☆13Feb 15, 2024Updated 2 years ago
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆14Oct 9, 2026Updated 3 weeks ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated 2 years ago
- Simmate: a full-stack framework for chemistry research.☆37Updated this week
- A variational 2-RDM-driven CASSCF plugin to Psi4☆11Jul 16, 2026Updated 3 months ago
- Master project repository for Gøran Brekke Svaland. Molecular Dynamics using LAMMPS. CLAYFF. REAXFF.☆12May 26, 2015Updated 11 years ago
- SAPT energy calculator built using MDAnalysis and Psi4☆16May 26, 2025Updated last year
- Vibrations - a Python Code for Anharmonic Theoretical Vibrational Spectroscopy☆11Updated this week
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Oct 30, 2024Updated 2 years ago
- Tool provider to fragSMILES chemical notation☆12Sep 13, 2026Updated last month
- Create atomistic structures with ASE, rdkit and packmol☆29Updated this week
- 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.
- OpenRSP: open-ended response theory.☆17Aug 16, 2020Updated 6 years ago
- ☆14Mar 28, 2019Updated 7 years ago
- A graphical user interface for LobsterPy☆20Nov 8, 2025Updated 11 months ago
- Gold-Standard Chemical Database 138 (GSCDB138)☆43Sep 6, 2026Updated 2 months ago
- Atomic Coordinate Toolkit for visualizing and editing atomic structures inside VS Code.☆23Jul 17, 2026Updated 3 months ago
- CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…☆13Oct 25, 2023Updated 3 years ago
- A post-processing engine for particle simulations☆47May 22, 2026Updated 5 months ago
- A package for plotting and manipulating 1D spectra☆13Jul 30, 2024Updated 2 years ago
- Set of scripts to automate the calculation of crystal lattice energies.☆14Oct 17, 2024Updated 2 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- An overview over chemical datasets and where to find them☆17Aug 29, 2023Updated 3 years ago
- Further development of FINALES☆15Mar 6, 2026Updated 8 months ago
- GaInt: A Python package for molecular Gaussian Integrals evaluation.☆10Mar 28, 2026Updated 7 months ago
- Comprehensive input/output validator. Made with the purpose of ensuring VASP calculations are compatible with Materials Project data, wit…☆16Aug 14, 2026Updated 2 months ago
- Building blocks for scientific data pipelines☆44Nov 1, 2026Updated last week
- A step-by-step tutorial to code the McMurchie-Davidson scheme to compute molecular integrals☆10Jul 4, 2021Updated 5 years ago
- GW100 data repository and post processing tools☆14Dec 16, 2025Updated 10 months ago