Structured Multi-task Learning for Molecular Property Prediction, AISTATS'22 (https://proceedings.mlr.press/v151/liu22e.html)
☆14Jul 6, 2022Updated 3 years ago
Alternatives and similar repositories for SGNN-EBM
Users that are interested in SGNN-EBM are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Implementation of iMolCLR: "Improving Molecular Contrastive Learning via Faulty Negative Mitigation and Decomposed Fragment Contrast" in …☆20Aug 30, 2022Updated 3 years ago
- Official Implementation of "C5T5: Controllable Generation of Organic Molecules with Transformers"☆23Dec 17, 2021Updated 4 years ago
- pqsar2cpd is a deep learning algorithm for translation of activity profiles into novel molecules.☆29Jul 12, 2023Updated 2 years ago
- ☆11Apr 10, 2022Updated 4 years ago
- Convert MSP files into a database☆10May 4, 2021Updated 5 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.
- Toolkit for untargeted metabolomics profiling☆13Aug 25, 2025Updated 8 months ago
- ☆11Nov 30, 2024Updated last year
- Defined MRM transitions from untargeted metabolomics data☆11Nov 13, 2023Updated 2 years ago
- ☆16Jul 29, 2025Updated 9 months ago
- AAAI 2020: Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-like Molecules☆37Mar 28, 2022Updated 4 years ago
- On-instrument and post-acquisition targeted feature extraction☆13Apr 24, 2026Updated 2 weeks ago
- source code for NAACL2022 main conference "Dynamic Programming in Rank Space: Scaling Structured Inference with Low-Rank HMMs and PCFGs"☆10Sep 26, 2022Updated 3 years ago
- Protein scoring and sampling of 'Combinatorial Variant Effects from Structure' (CoVES)☆11Jan 5, 2024Updated 2 years ago
- [CIKM-21] Pytorch implementation of LiteGT: Efficient and Lightweight Graph Transformers☆12Nov 16, 2021Updated 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.
- ☆10May 25, 2020Updated 5 years ago
- Official implementation of "Learning Proposals for Practical Energy-Based Regression", AISTATS 2022.☆13Feb 4, 2023Updated 3 years ago
- Official repository accompaying the ICDAR 2023 paper☆13Oct 3, 2023Updated 2 years ago
- ☆12Jun 18, 2024Updated last year
- Shiny app for retention time prediction☆11Dec 1, 2025Updated 5 months ago
- The Python 3 library for Multi-Criteria Decision Analysis.☆12Aug 13, 2024Updated last year
- A Matlab to R translator written in R☆12May 12, 2021Updated 4 years ago
- This is the git repository matching the Bioconductor package CAMERA: Collection of annotation related methods for mass spectrometry data☆14May 9, 2025Updated last year
- Benchmarking scripts for Gaia☆15Apr 10, 2025Updated last year
- 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.
- ☆10May 20, 2019Updated 6 years ago
- ACL'2023: Few-shot Event Detection: An Empirical Study and a Unified View☆11Mar 13, 2024Updated 2 years ago
- Transfer Learning in Dialogue Benchmarking Toolkit☆14Mar 31, 2023Updated 3 years ago
- ☆10Apr 2, 2018Updated 8 years ago
- generating various molecular representations for chemicals, proteins, DNAs/RNAs and their interactions.☆16Oct 19, 2019Updated 6 years ago
- Code for the paper "Understanding the Mechanics of SPIGOT: Surrogate Gradients for Latent Structure Learning"☆11May 5, 2021Updated 5 years ago
- A transfer learning-based random forest regression model☆15Aug 25, 2018Updated 7 years ago
- ☆15Aug 13, 2023Updated 2 years ago
- C++ neural network library☆13Jul 2, 2016Updated 9 years ago
- 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.
- Deep learning model of machine translation using attentional and structural biases☆13Jul 21, 2017Updated 8 years ago
- Official repository for "CUPID: Curating Data your Robot Loves with Influence Functions," accepted to CoRL 2025.☆34Aug 9, 2025Updated 9 months ago
- Calibrated clustering with artificial variables to avoid over-clustering in single-cell RNA-sequencing☆20Nov 18, 2025Updated 5 months ago
- An exploration of the state of the art in the application of data science to quantum chemistry.☆13Dec 30, 2025Updated 4 months ago
- An atom-bond transformer-based message passing neural network for molecular property prediction.☆37Mar 8, 2023Updated 3 years ago
- Jax code for functional genomics ML☆14Mar 5, 2025Updated last year
- Weighted Training for Cross-Task Learning☆15Feb 12, 2023Updated 3 years ago