☆11Aug 11, 2016Updated 10 years ago
Alternatives and similar repositories for amp-tutorial
Users that are interested in amp-tutorial are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A Python package to improve the accessibility and reproducibility of enhanced sampling simulations☆15May 16, 2018Updated 8 years ago
- A python class for building a ZMatrix from a RDKit molecule. We can also do coordinate transformations between ZMatrix and Cartesian spac…☆15Jun 19, 2023Updated 3 years ago
- Python wrapper for packmol molecule packing program☆12Jan 4, 2016Updated 10 years ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆59Sep 25, 2023Updated 3 years ago
- Predict the electronic structure and atomic properties (potential energy, forces, and stress tensor) of polymers containing N and/or O.☆24Sep 3, 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.
- a unified interface for molecular harmonic vibrational frequency calculations☆34May 15, 2026Updated 5 months ago
- ☆19Oct 24, 2018Updated 8 years ago
- Pulls all geometry information from cccbdb.nist.gov for the specified chemical formula☆10Aug 6, 2017Updated 9 years ago
- Code to convert DFPT modes in OUTCAR files to VESTA images☆27Aug 14, 2022Updated 4 years ago
- Tutorials for DeepModeling projects.☆18Mar 11, 2026Updated 7 months ago
- A PyMOL plugin for visualizing vibrations in molecules and solids☆44Jul 4, 2026Updated 3 months ago
- EChemDID and various USER packages for LAMMPS.☆11Jan 20, 2023Updated 3 years ago
- DFTB parameter optimization tools☆12Oct 5, 2023Updated 3 years ago
- VibroML: Machine-Learning Vibrational Analysis & Stability☆11Updated this week
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Repository for spectral neighbor analysis potential (SNAP) model development.☆40Jun 30, 2020Updated 6 years ago
- Python Materials Discovery Framework☆76Feb 2, 2024Updated 2 years ago
- PROPhet is a code to integrate machine learning techniques with first-principles quantum chemistry approaches☆66Apr 19, 2018Updated 8 years ago
- Menagerie of generative AI models for materials design☆15Nov 11, 2025Updated 11 months ago
- Example class structure for use in FYS4411: Quantum mechanical systems at UiO.☆16Mar 28, 2023Updated 3 years ago
- LaTeX package that provides a front page and other snacks for master thesises at the Physics departement at the University of Oslo.☆14Apr 25, 2016Updated 10 years ago
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆115Feb 22, 2022Updated 4 years ago
- Some notes (cookbook) for pyMol. Protein Crystallography course.☆17Jun 19, 2021Updated 5 years ago
- Code repository for "Finding symmetry breaking order parameters with Euclidean Neural Networks"☆16Jan 12, 2021Updated 5 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- A unified package for post-processing optical properties of point defects from first principles calculation.☆12Jul 18, 2026Updated 3 months ago
- A NOMAD plugin containing the schema for the Perovskite Solar Cell Database.☆16Oct 16, 2026Updated last week
- This is the repository of code and data for paper "Machine learning-enabled chemical space exploration of all-inorganic perovskites for p…☆12Sep 23, 2024Updated 2 years ago
- This is the proof of concept, how a relatively unsophisticated statistical model trained on the large MPDS dataset predicts physical prop…☆11Oct 31, 2024Updated last year
- Deprecated - see `pair_nequip_allegro`☆44Apr 25, 2025Updated last year
- materials.sh☆10Sep 8, 2019Updated 7 years ago
- A light-weight PyTorch extension for equivariant deep learning☆18Feb 20, 2025Updated last year
- Suite for Analysis of Molecular Simulations☆12Sep 17, 2026Updated last month
- LaTeX/Tikz package. It provides several commands in order to draw atomic orbitals and molecular orbitals diagrams.☆15Nov 24, 2015Updated 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.
- Jupyter notebooks outlining theory and calculations for hot polaron cooling in halide perovskite solar cells☆11Feb 23, 2018Updated 8 years ago
- A modular electronic structure theory code☆21Aug 11, 2018Updated 8 years ago
- Quantum-Wise VNL Application for Perovskite Building and Machine Learning☆12May 14, 2020Updated 6 years ago
- Vizualisation of Atomic Contributions to Phonon Modes☆13Nov 6, 2024Updated last year
- Reproduce partial features of DeePMD-kit using PyTorch.☆19Dec 14, 2021Updated 4 years ago
- Chat with the Top LLM and NLP Research Papers☆11Aug 21, 2024Updated 2 years ago
- Python Object Oriented Programming Cookbook, published by Packt☆18Jan 15, 2021Updated 5 years ago