☆14Oct 21, 2025Updated last year
Alternatives and similar repositories for BOOM
Users that are interested in BOOM are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Grid Generation☆11Mar 7, 2024Updated 2 years ago
- Metrics for evaluating biological sequence design☆16Sep 1, 2026Updated last month
- Tool to fetch, parse, and standardize materials data from various databases for LeMaterial.☆19Jun 8, 2026Updated 4 months ago
- Accelerating superconductor discovery through tempered deep learning of the electron-phonon spectral function☆11Aug 20, 2024Updated 2 years ago
- Implementation of Koopmans-compliant functionals in Quantum ESPRESSO☆18Jul 9, 2026Updated 3 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Visualize interactively phonon dispersions and their eigenvectors☆16Feb 7, 2025Updated last year
- SSH connection manager☆18Aug 1, 2026Updated 2 months ago
- Electronic Structure Guided Inverse Design Using Generative Models☆14Jul 7, 2026Updated 3 months ago
- Repository to store the code for publication reproducibility☆12Oct 11, 2024Updated 2 years ago
- An event driven synchronization application for bridging GitHub and GitLab☆28Oct 19, 2026Updated last week
- Open Source, Prepare a molecular dynamic simulation from scratch without installing local VMD, use LigParGen for topology, it is one of t…☆14Jul 3, 2023Updated 3 years ago
- Applying Machine Learning methodologies in search of novel MOF's and battery materials.☆14May 31, 2023Updated 3 years ago
- A Genetic algorithm + active learning framework to identify the optimal metallic nanoclusters for a given number of atoms☆10Oct 26, 2023Updated 3 years ago
- Code for performing adversarial attacks on atomistic systems using NN potentials☆41Oct 3, 2022Updated 4 years ago
- 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.
- Source codes for paper "Generative Design of Functional Metal Complexes Utilizing the Internal Knowledge of Large Language Models"☆12Jul 1, 2025Updated last year
- Benchmark metrics for crystal structure prediction☆15Aug 1, 2024Updated 2 years ago
- ☆21May 25, 2026Updated 5 months ago
- Advancing molecular machine learning representations with stereoelectronics-infused molecular graphs☆37Feb 9, 2026Updated 8 months ago
- ☆18Mar 14, 2024Updated 2 years ago
- Many-body dispersion library☆13Sep 16, 2026Updated last month
- Implementation for AtomMOF: All-Atom Flow Matching for MOF-Adsorbate Structure Prediction☆20Oct 7, 2026Updated 2 weeks ago
- A general graph neural network for the prediction of reaction-level properties☆10Dec 12, 2024Updated last year
- DISTIC (Durable, Infinite, Shared, Transactional, Isolated, Composable) storage system for Python 3.x offering flexibility of a memory wi…☆56Updated this week
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Structure-based out-of-distribution (OOD) material property prediction: a benchmark study☆14May 17, 2025Updated last year
- Network representation learning on drug-target-side effects-indication graphs for side effect prediction☆13Feb 4, 2020Updated 6 years ago
- Expressive Sign Equivariant Networks for Spectral Geometric Learning☆17Jan 25, 2024Updated 2 years ago
- Source code and data files for "PEMT: A patent enrichment tool with applicability in drug discovery"☆17Sep 28, 2026Updated 3 weeks ago
- A benchmark for Large Atomistic Models☆20Oct 19, 2026Updated last week
- Spatial Modeling Algorithms for Reactions and Transport☆14Jun 24, 2026Updated 4 months ago
- ☆13Oct 21, 2018Updated 8 years ago
- ☆10Jan 9, 2025Updated last year
- ☆17Sep 28, 2026Updated 3 weeks ago
- 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.
- Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote e…☆32Aug 28, 2026Updated last month
- MACE-Field - Fast and accurate machine learning interatomic potentials under an external electric field for predicting dielectric propert…☆33Sep 21, 2026Updated last month
- ☆20Jul 1, 2023Updated 3 years ago
- Molecular Relaxation with Reverse Diffusion☆18Updated this week
- Crystal Host-Guided Generation☆19Apr 24, 2025Updated last year
- ☆14Nov 16, 2023Updated 2 years ago
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆62Oct 22, 2024Updated 2 years ago