Code for paper: "Removing Biases from Molecular Representations via Information Maximization"
☆21Apr 4, 2024Updated 2 years ago
Alternatives and similar repositories for InfoCORE
Users that are interested in InfoCORE are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Deep Learning for Molecular Property Prediction in the Foundation Model Era☆15May 6, 2026Updated 2 months ago
- Using a joint AE and property prediction model to estimate OOD molecules and quantify uncertainty☆27Apr 25, 2026Updated 2 months ago
- ☆36Jan 21, 2025Updated last year
- Source code accompanying the 'MF-PCBA: Multi-fidelity high-throughput screening benchmarks for drug discovery and machine learning' paper☆33Jul 29, 2025Updated 11 months ago
- Repository for the paper A generative artificial intelligence approach for antibiotic optimization☆16Mar 26, 2026Updated 3 months ago
- 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.
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆46Jun 14, 2023Updated 3 years ago
- ☆11Nov 8, 2023Updated 2 years ago
- Code for WWW'26 paper: Hi-GMAE: Hierarchical Graph Masked Autoencoders☆12Feb 8, 2025Updated last year
- The code for "Learning Molecular Representation in a Cell"☆43Mar 6, 2025Updated last year
- ☆19Sep 4, 2025Updated 10 months ago
- Structural optimization of drug molecules by generative deep learning.☆16Apr 9, 2026Updated 3 months ago
- A tutorial for 3D computer graphics for bio-molecules and organic molecules☆28Jan 26, 2025Updated last year
- Group-wise release of ProtiCelli, including core code deveplopment.☆24Jun 12, 2026Updated last month
- A novel method that quantitatively evaluates the impact of PLM in PLI predictions.☆12Sep 14, 2023Updated 2 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.
- Chemical kinetics with tensorflow. Use tensorflow deep learning platform to numerically calculate chemical rate equations for chemical ki…☆14Sep 16, 2021Updated 4 years ago
- Intelligent background-correction algorithm for highly fluorescent sample in Raman spectroscopy☆25Dec 17, 2019Updated 6 years ago
- ☆29Jan 7, 2025Updated last year
- ☆24Jun 30, 2026Updated 3 weeks ago
- Transfer via Extreme learning machine Auto-encoder Method (TEAM)☆19Sep 9, 2022Updated 3 years ago
- Label-free measurement of density and anisotropy from polarization-resolved images☆12Jun 4, 2023Updated 3 years ago
- Official implementation for Learning Invariant Molecular Representation in Latent Discrete Space (NeurIPS 2023)☆23Oct 16, 2023Updated 2 years ago
- ☆14Aug 14, 2023Updated 2 years ago
- KDS software for Kinase Drug Selectivity☆10Jun 22, 2026Updated last month
- 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.
- ☆22Sep 24, 2022Updated 3 years ago
- InstructMol: Multi-Modal Integration for Building a Versatile and Reliable Molecular Assistant in Drug Discovery (COLING 2025)☆53Dec 2, 2024Updated last year
- ☆40Feb 24, 2026Updated 4 months ago
- [ICML 2022] Local Augmentation for Graph Neural Networks☆68Jan 31, 2026Updated 5 months ago
- ☆14Feb 26, 2024Updated 2 years ago
- Official Code for What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks (In NeurIPS 2023)☆174Jul 26, 2024Updated last year
- Reproducible analyses for the NicheCompass manuscript☆14Jul 3, 2025Updated last year
- A known-to-unknown metabolite identification workflow☆22Sep 15, 2020Updated 5 years ago
- ☆17Oct 10, 2021Updated 4 years 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.
- sTDA-xTB Hamiltonian for ground state☆24May 19, 2022Updated 4 years ago
- Code for the paper `Multiscale topology classifies and quantifies cell types in subcellular spatial transcriptomics"☆13Apr 23, 2024Updated 2 years ago
- Awesome-AI-Meets-Biology is a collection of state-of-the-art, novel, exciting LLMs and agents on biomedical and bioinformatic fields.☆36May 28, 2026Updated last month
- Official Implementation of Avoiding spurious correlations via logit correction☆17May 6, 2023Updated 3 years ago
- [NeurIPS 2023] The source code of "Equivariant Spatio-Temporal Attentive Graph Networks to Simulate Physical Dynamics"☆28Aug 6, 2024Updated last year
- Source code and data files for "PEMT: A patent enrichment tool with applicability in drug discovery"☆17Jan 27, 2025Updated last year
- The central entry point to the P2Rank project with links to the individual projects, including references to documentation, datasets, etc…☆14Feb 11, 2026Updated 5 months ago