Python module for drawing and rendering ASE (Atomic Simulation Environment) atoms and molecules objects using blender.
☆13May 29, 2022Updated 3 years ago
Alternatives and similar repositories for blase
Users that are interested in blase are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- X3D for Atomic Simulation Environment☆15Nov 8, 2020Updated 5 years ago
- Crystallographic files of common materials, elements, oxides, for visualization in Avogadro☆20Apr 1, 2026Updated last week
- Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE).☆17Jul 15, 2023Updated 2 years ago
- Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote e…☆26Mar 2, 2026Updated last month
- CASTEPconv, a tool to automate convergence calculations with CASTEP☆14Aug 9, 2021Updated 4 years 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.
- Python module for drawing and rendering beautiful atoms and molecules using Blender.☆189Dec 9, 2025Updated 4 months ago
- A widget to visualize and edit atomic structures in Jupyter Notebook☆47Feb 20, 2026Updated last month
- Threaded implementation of grid-based Bader charge analysis.☆17Oct 19, 2023Updated 2 years ago
- Explain a SMARTS using SmartsView (K. Schomburg and M. Rarey)☆17Oct 4, 2021Updated 4 years ago
- Scripts to calculate elastic properties from a set of strained structures☆20Jul 3, 2024Updated last year
- Registry for BIG-MAP apps and codes. Find the apps☆10Updated this week
- The Orthogonalized Linear Combination of Atomic Orbitals package.☆27Updated this week
- A MAC (Marker-And-Cell) solver written in Taichi☆10Aug 30, 2022Updated 3 years ago
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆93Dec 5, 2025Updated 4 months 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.
- A Pymatgen IO module for setting up OpenMM simulations.☆11Mar 15, 2024Updated 2 years ago
- An implementation of an efficient "object store" (actually, a key-value store) writing files on disk and not requiring a running server☆16Apr 6, 2026Updated last week
- ☆24Jun 16, 2025Updated 9 months ago
- ☆74May 4, 2023Updated 2 years ago
- ☆12Sep 9, 2020Updated 5 years ago
- WiFi library for RP2040 Pico-W with the ESP8285 chip☆17Updated this week
- A Rust reimplementation of PyMOL molecular visualization☆100Updated this week
- Python interface for VASP☆93Updated this week
- machine learning interatomic potentials aiida plugin☆24Apr 7, 2026Updated last week
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Gaussian-Processes Surrogate Optimisation in python☆18May 18, 2021Updated 4 years ago
- Implements core functions for AiiDAlab.☆16Updated this week
- Python program for calculating 1D (i.e. planar) equilibrium semiconductor band diagrams☆13Jan 2, 2014Updated 12 years ago
- ☆12Jun 18, 2025Updated 9 months ago
- python enhancements of ase.calculators.vasp☆28Jun 3, 2016Updated 9 years ago
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆54Oct 21, 2025Updated 5 months ago
- CP2K containers☆17Aug 19, 2025Updated 7 months ago
- parse Grid Engine qstat job info list into a list of python dicts☆11May 19, 2022Updated 3 years ago
- A quantitative benchmark and analysis of molecular large language models.☆18Jun 3, 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.
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆62Feb 27, 2026Updated last month
- An open-source Python package for creating fast and accurate interatomic potentials.☆350Feb 6, 2026Updated 2 months ago
- A Pythonic wrapper for the scientific journal, including Nature, Science, ScienceDirect, Wiley, ACS publication, RSC publication and so o…☆21Mar 18, 2020Updated 6 years ago
- ☆32May 27, 2020Updated 5 years ago
- A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code☆23Feb 5, 2026Updated 2 months ago
- A Python library for electronic structure pre/post-processing☆207Jan 29, 2026Updated 2 months ago
- Axel Kohlmeyer's development repository of the LAMMPS MD software package☆12Updated this week