☆17Mar 25, 2025Updated last year
Alternatives and similar repositories for chem-MFBO
Users that are interested in chem-MFBO are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- AiiDA workflows for the LSMO laboratory at EPFL☆12Sep 8, 2023Updated 2 years ago
- Design Space Analysis☆14Dec 9, 2024Updated last year
- A python package for spectral deconvolution of UV-Vis waveforms☆14Jul 1, 2021Updated 5 years ago
- ☆12Mar 17, 2024Updated 2 years ago
- Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)☆61Feb 24, 2026Updated 4 months ago
- 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.
- Bayesian optimization for chemistry☆19Mar 20, 2024Updated 2 years ago
- ☆14Apr 12, 2026Updated 3 months ago
- Microcourses hosted by the Acceleration Consortium for self-driving lab topics.☆36Apr 29, 2026Updated 2 months ago
- Basic sanity checks for MOFs.☆35Jul 6, 2026Updated 2 weeks ago
- The latest stable release for the crystal structure prediction code FUSE☆13Oct 28, 2025Updated 8 months ago
- ☆18Feb 1, 2023Updated 3 years ago
- Public code base for the Accelerated Molecular Discovery (AMD) platform☆12Nov 17, 2023Updated 2 years ago
- An ecosystem for digital reticular chemistry☆52Sep 10, 2024Updated last year
- Bayesian Optimization with multiple tiers of objectives, which can flexibly depend on model inputs and outputs☆14Sep 10, 2025Updated 10 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.
- Molecular Descriptors with Actively Identified Subsets☆17Aug 25, 2025Updated 10 months ago
- Code for extrapolation in materials property prediction as proposed in "Known Unknowns: Out-of-Distribution Property Prediction in Materi…☆34Jan 16, 2026Updated 6 months ago
- ChemDataWriter is a transformer-based library for automatically generating research books in the chemistry area.☆13Oct 7, 2023Updated 2 years ago
- Extended version of the Chemprop framework that allows the calculation of atomistic and molecular Jazzy/Kallisto features.☆16Jan 10, 2025Updated last year
- PyChemEngg is a python-based framework to promote problem solving and critical thinking in chemical engineering.☆16Oct 26, 2021Updated 4 years ago
- Reinforcement learning prioritizes general applicability in reaction optimization☆23Mar 7, 2025Updated last year
- ☆19Aug 4, 2024Updated last year
- MOFSimBench: Evaluating universal machine learning interatomic potentials in metal-organic framework molecular modeling☆44Dec 17, 2025Updated 7 months ago
- Official implementation of the paper “Limeade: Let integer molecular encoding aid”☆31Apr 16, 2025Updated last year
- 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.
- ☆15Aug 8, 2025Updated 11 months ago
- Compilation of literature examples of generative drug design that demonstrate experimental validation☆59Jul 3, 2025Updated last year
- ☆20Apr 29, 2024Updated 2 years ago
- Simulation of manufacturing systems☆15Mar 15, 2022Updated 4 years ago
- ☆37Mar 4, 2024Updated 2 years ago
- Bayesian optimization used for kuka workflow☆20Mar 21, 2023Updated 3 years ago
- ☆21Nov 13, 2025Updated 8 months ago
- ☆19May 15, 2025Updated last year
- Distributed representations of atoms, inspired by the Skip-gram model☆28Jul 16, 2023Updated 3 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Code associated with paper "High-Dimensional Contextual Policy Search with Unknown Context Rewards using Bayesian Optimization"☆16Dec 7, 2020Updated 5 years ago
- ☆25Jan 22, 2025Updated last year
- Sample-efficient Generative Molecular Design using Memory Manipulation☆90Jun 17, 2026Updated last month
- CBE 30338 Data Analytics, Optimization, and Control☆14Apr 25, 2026Updated 2 months ago
- The summer training course on the Bayesian Optimization☆32May 18, 2026Updated 2 months ago
- A concise and easy-to-customize reimplementation of "ChemProp" (Yang et al, 2019) in PyTorch Geometric.☆25Jun 23, 2022Updated 4 years ago
- A Battery Interface Ontology based on EMMO☆57Updated this week