☆16Jan 22, 2026Updated 5 months ago
Alternatives and similar repositories for om-data
Users that are interested in om-data are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- [TMLR 2025] Stability-Aware Training of Machine Learning Force Fields with Differentiable Boltzmann Estimators☆17Nov 20, 2025Updated 8 months ago
- ☆22Jun 22, 2026Updated 3 weeks ago
- Mr. Network is a python reaction-network for molecular systems☆11Jun 22, 2022Updated 4 years ago
- Strategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)☆29May 1, 2021Updated 5 years ago
- Repository for the tmQMg dataset files and analysis scripts.☆17Nov 6, 2025Updated 8 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆29Updated this week
- ☆15Feb 5, 2025Updated last year
- rNets: A standalone package to visualize reaction networks☆16Oct 18, 2024Updated last year
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆60Sep 26, 2025Updated 9 months ago
- An open-source active learning framework for training machine-learned interatomic potentials☆44Jul 8, 2026Updated last week
- The architector python package - for 3D metal complex design. C22085☆96Feb 14, 2026Updated 5 months ago
- Alchemical machine learning interatomic potentials☆36Nov 8, 2024Updated last year
- Repository for UCSD NANO 266 Quantum Mechanical Modelling of Materials☆22Nov 13, 2024Updated last year
- ☆32Nov 4, 2024Updated last year
- 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.
- A literature database☆83Apr 7, 2026Updated 3 months ago
- A framework for using topological data analysis to extract structure/symmetry from scientific systems.☆26Aug 28, 2022Updated 3 years ago
- Crystal Edge Graph Attention Neural Network☆24Jun 17, 2024Updated 2 years ago
- [ICLR 2025] Official Implementation of "Towards Fast, Specialized Machine Learning Force Fields: Distilling Foundation Models via Energy …☆26Apr 17, 2025Updated last year
- [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…☆74Nov 2, 2024Updated last year
- ☆15Feb 19, 2025Updated last year
- Workflow for creating and analyzing the Open Catalyst Dataset☆132Feb 5, 2025Updated last year
- Corresponding dataset and tools for the AdsorbML manuscript.☆46Feb 5, 2025Updated last year
- A Python software package for saddle point optimization and minimization of atomic systems.☆167Jul 13, 2026Updated last week
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- A cellular automaton for simulation solid state reactions☆17Jul 13, 2026Updated last week
- [ICML'26] Phonon fine-tuning (PFT) and [NeurIPS'25 AI4Mat] Nequix: Training a foundation model for materials on a budget☆76Apr 5, 2026Updated 3 months ago
- A graph neural network for the prediction of bond dissociation energies for molecules of any charge.☆69Sep 10, 2025Updated 10 months ago
- A Python/Fortran order parameter analysis library☆14Dec 22, 2020Updated 5 years ago
- Collection of National Science Foundation (NSF) proposal templates: pitches, general applications, etc.☆16Nov 17, 2023Updated 2 years ago
- [ICML'25] The Price of Freedom: Exploring Expressivity and Runtime Tradeoffs in Equivariant Tensor Products☆19Jul 16, 2025Updated last year
- a python library for cheminformatics and machine learning☆17Apr 27, 2026Updated 2 months ago
- Advancing molecular machine learning representations with stereoelectronics-infused molecular graphs☆36Feb 9, 2026Updated 5 months ago
- ☆27Apr 17, 2026Updated 3 months ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- A Python package to assist with parameterization and construction of all-atomistic polymer simulations☆17Feb 11, 2025Updated last year
- code for ZStruct-2☆16Aug 31, 2024Updated last year
- an automatic reaction network generator for reactive molecular dynamics simulation☆100Jul 13, 2026Updated last week
- ☆41Mar 12, 2024Updated 2 years ago
- A collection of QM data for training potential functions☆198Feb 25, 2026Updated 4 months ago
- ☆17Mar 24, 2025Updated last year
- Generate 3D transition state geometries with GNNs☆13Oct 13, 2020Updated 5 years ago