☆17May 6, 2026Updated 5 months ago
Alternatives and similar repositories for MOFBuilder
Users that are interested in MOFBuilder are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆22Jul 3, 2026Updated 3 months ago
- ASE framework for Monte Carlo simulations with machine learned interatomic potentials☆30Oct 16, 2026Updated last week
- Crystal structure inpainting☆14Aug 10, 2026Updated 2 months ago
- generalized machine learning potential eqnorm☆14Jun 30, 2025Updated last year
- Python-based real-space Kohn-Sham DFT accelerated by machine-learned charge density (J. Comput. Chem.)☆18Updated this 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.
- Flexible solvation benchmark and analysis tool for evaluating (implicit) solvation models on the large and conformationally flexible mole…☆15Apr 2, 2026Updated 6 months ago
- A standalone library of the GFN-FF method. Extracted in large parts from the xtb program.☆25Oct 14, 2026Updated last week
- Terminal based crystal structure viewer☆16Jun 19, 2026Updated 4 months ago
- Tools for machine learnt interatomic potentials☆51Oct 7, 2026Updated 2 weeks ago
- ☆17Apr 22, 2025Updated last year
- ASE calculator for RASPA2☆12Feb 1, 2025Updated last year
- Python Workflow Definition - workflow interoperability for aiida, jobflow and pyiron☆19Updated this week
- Python package for automated transition metal complex conformer generation☆26Dec 4, 2025Updated 10 months ago
- Equitrain: A Unified Framework for Training and Fine-tuning Machine Learning Interatomic Potentials☆41Oct 15, 2026Updated last week
- 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.
- More efficient and faster version of pyscal☆31Oct 8, 2026Updated 2 weeks ago
- Python package to simulate differential absorption spectra of crystals from first principles☆34Dec 21, 2025Updated 10 months ago
- HIP: Hessians with Interatomic Potentials☆51Sep 8, 2026Updated last month
- Fortran and Python library to predict material interface structures☆22Jul 3, 2026Updated 3 months ago
- An application for generating customizable slabs and interfaces for first-principles simulations.☆12Aug 26, 2026Updated last month
- DFT dataset and machine learning models for high entropy alloys☆33Apr 19, 2024Updated 2 years ago
- SlaKoNet: A Unified Slater-Koster Tight-Binding Framework Using Neural Network Infrastructure for the Periodic Table https://pubs.acs.org…☆15Aug 26, 2026Updated last month
- A complete software environment for modeling and simulating materials, tailored for a MOF chemist☆52Updated this week
- Generator of polynomial machine learning potentials☆23Updated this 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.
- Ball-and-stick crystal structure viewer for Python. Publication-quality vector output (SVG, PDF) and trajectory animations (GIF, MP4) via…☆21Sep 1, 2026Updated last month
- A collection of files related to machine learning force fields☆25Oct 25, 2023Updated 3 years ago
- A Python and Machine Learning methods implementation for Crystal Structure Prediction and Diffraction Study☆12Apr 1, 2025Updated last year
- ☆12Jul 7, 2026Updated 3 months ago
- Machine Learned Interatomic Potential Tools☆25Updated this week
- This repository contains the source code for Bayesian Learned Interatomic Potentials (BLIP)☆35May 4, 2026Updated 5 months ago
- A python package for fast building amorphous solids and liquid mixtures from @materialsproject computed structures and machine learning i…☆11Apr 22, 2026Updated 6 months ago
- A flexible and performant framework for training machine learning potentials.☆38Updated this week
- electrostatic model sandbox based on the MACE MLIP architecture☆39Updated this week
- 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.
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- 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
- A Newtonian message passing network for deep learning of interatomic potentials and forces☆46Apr 28, 2026Updated 5 months ago
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆42Updated this week
- A PyMOL plugin for visualizing vibrations in molecules and solids☆44Jul 4, 2026Updated 3 months ago
- DFTB+ recipes☆11May 27, 2026Updated 4 months ago
- PyTorch Autodiff DFT-D4 Implementation.☆26Updated this week