Code for the Metric Learning for Kernel Ridge Regression algorithm
☆13Jun 6, 2024Updated 2 years ago
Alternatives and similar repositories for MLKRR
Users that are interested in MLKRR are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)☆20Aug 3, 2026Updated 2 months ago
- Encoding chemistry to interpret crystallographic data☆30Updated this week
- A simple X11 molecular viewer☆24Sep 15, 2026Updated last month
- A database of reaction properties containing the atom-mapped reaction SMILES and the target properties.☆37Apr 11, 2024Updated 2 years ago
- ☆13Jul 1, 2022Updated 4 years 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.
- MolEnc: a molecular encoder using rdkit and OCaml.☆21May 12, 2026Updated 5 months ago
- An implementation of Roger Sayle's smizip algorithm for short string compression, like SMILES strings☆14Feb 1, 2025Updated last year
- Implementing a bayesian neural network in TensorFlow☆11May 23, 2018Updated 8 years ago
- ☆15Sep 30, 2026Updated 3 weeks ago
- APDFT calculates quantumchemical results for many molecules at once.☆14Jul 6, 2023Updated 3 years ago
- Code to support the paper: P. van Gerwen, K. R. Briling, C. Bunne, V. R. Somnath, R. Laplaza, A. Krause, C. Corminboeuf, "3DReact: Geomet…☆27Nov 6, 2025Updated 11 months ago
- ☆10Feb 10, 2022Updated 4 years ago
- Graph Learning over Macromolecule Representations☆27Dec 31, 2022Updated 3 years ago
- Hückel model + JAX☆14Oct 13, 2022Updated 4 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Machine learning for molecules workshop 2022☆13Nov 30, 2022Updated 3 years ago
- Real-time security-constrained economic dispatch (i.e. optimal power flow). This set of codes aims to provide a benchmark that mimics the…☆26Apr 3, 2023Updated 3 years ago
- This is an updated version of the MolecularTransformer of Schwaller et. al.☆14Jan 17, 2022Updated 4 years ago
- Awesome Power Analysis is for collecting power analysis related sources, including power flow, production cost modeling, etc.☆39Jan 17, 2020Updated 6 years ago
- See http://dx.doi.org/10.1039/C7SC04156J for more details☆13Aug 28, 2023Updated 3 years ago
- Script for generating the Many Body Distribution Functionals and Density of Functionals representations☆14Jan 28, 2025Updated last year
- The code corresponding to Predictive Minisci Late Stage Functionalization with Transfer Learning☆12Nov 20, 2024Updated last year
- McDock: Simple Monte Carlo docking algorithm in C++☆11Feb 10, 2017Updated 9 years ago
- An Alfred Wrapper for the TOD Rust App for quickly adding tasks to your Todoist Inbox using Todoist NLP☆16Sep 21, 2024Updated 2 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.
- Amons-based quantum machine learning for quantum chemistry☆26Nov 4, 2025Updated 11 months ago
- Jupyter Notebooks for Python Introduction, University of Basel, May 2020☆14May 15, 2020Updated 6 years ago
- A platform for catalyst discovery☆15May 27, 2026Updated 5 months ago
- MolDesigner: Interactive Design of Efficacious Drugs with Deep Learning (NeurIPS 2020 Demo)☆16Nov 27, 2020Updated 5 years ago
- Gthub action for Project (beta) management. Allows to update fields☆21Sep 20, 2023Updated 3 years ago
- Dynamic dispatch over arbitrary predicates☆10Feb 2, 2016Updated 10 years ago
- Linear Operators in JAX.☆12May 11, 2023Updated 3 years ago
- MCP Alignment & Linting Tool☆12Updated this week
- TextFlows is an open-source online platform for composition, execution, and sharing of interactive text mining and natural language proce…☆19Dec 1, 2017Updated 8 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.
- ☆25May 18, 2026Updated 5 months ago
- The Input Generator for Forgetful Chemists 🤓☆16Aug 3, 2025Updated last year
- Quantum machine learning (QML) molecular representations and core functions☆28Feb 21, 2026Updated 8 months ago
- Learn one, get them all for free☆12Jan 28, 2024Updated 2 years ago
- Dig into an opam switch for doc☆10Apr 8, 2022Updated 4 years ago
- ☆13Apr 12, 2018Updated 8 years ago
- ChaCha20, ChaCha12 and ChaCha8 encryption functions, in OCaml☆10Apr 3, 2022Updated 4 years ago