Zongru-Li / Survey-and-Benchmarks-of-DL-for-Molecular-Property-Prediction-in-the-Foundation-Model-EraView on GitHub
Deep Learning for Molecular Property Prediction in the Foundation Model Era
☆15May 6, 2026Updated 6 months ago
Alternatives and similar repositories for Survey-and-Benchmarks-of-DL-for-Molecular-Property-Prediction-in-the-Foundation-Model-Era
Users that are interested in Survey-and-Benchmarks-of-DL-for-Molecular-Property-Prediction-in-the-Foundation-Model-Era are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Structural optimization of drug molecules by generative deep learning.☆19Apr 9, 2026Updated 7 months ago
- Official implementation of "Gradient Boosted and Statistical Feature Selection Pipeline for Materials Property Predictions"☆12Feb 29, 2024Updated 2 years ago
- ☆26Mar 11, 2022Updated 4 years ago
- Code for paper: "Removing Biases from Molecular Representations via Information Maximization"☆21Apr 4, 2024Updated 2 years ago
- Preprocessing file generator (v1) and hosted Boltz-2 API builder/submitter (v2.0): binary, ternary, or N-body protein-ligand-DNA-RNA bind…☆12Oct 22, 2026Updated 3 weeks 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.
- ☆11Mar 9, 2026Updated 8 months ago
- AI-native molecular docking framework unified with site binding, conformation sampling and scoring☆22Oct 14, 2026Updated 3 weeks ago
- A 3D Molecular Generation Framework for Data-driven Molecular Applications.☆20Sep 28, 2026Updated last month
- ☆23Oct 2, 2024Updated 2 years ago
- Public code base for the Accelerated Molecular Discovery (AMD) platform☆12Nov 17, 2023Updated 2 years ago
- Explore the world of Numerical Methods and their practical applications in Chemical Engineering through this repository. Dive into algori…☆11Jul 15, 2024Updated 2 years ago
- Interactive plotting of data annotated with molecule structures.☆12Nov 30, 2023Updated 2 years ago
- Using a joint AE and property prediction model to estimate OOD molecules and quantify unfamiliarity☆29Apr 25, 2026Updated 6 months ago
- Anomaly detection in industrial IoT sensors (Collecting data for predictive maintenance)☆11Mar 3, 2020Updated 6 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- A Python package to generate collaborator info for NSF COA or DOE collaborator forms☆14Jul 20, 2026Updated 3 months ago
- Official repository for the SENA-discrepancy-VAE model.☆10Aug 20, 2025Updated last year
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 9 months ago
- ☆21Sep 29, 2026Updated last month
- A molecular machine learning MCP server that enables LLMs to handle molecular data☆37Jun 29, 2026Updated 4 months ago
- ☆25Oct 24, 2026Updated 2 weeks ago
- ☆13Oct 6, 2024Updated 2 years ago
- A novel method that quantitatively evaluates the impact of PLM in PLI predictions.☆12Sep 14, 2023Updated 3 years ago
- ☆37Feb 21, 2026Updated 8 months 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.
- Base Scipion plugin defining objects and protocols for CHEMoinformatics☆15Updated this week
- Web pages for emc campus big data contest☆15May 19, 2015Updated 11 years ago
- ☆21Oct 21, 2026Updated 3 weeks ago
- KDS software for Kinase Drug Selectivity☆10Jun 22, 2026Updated 4 months ago
- DMFF-DTA: Dual Modality Feature Fused Neural Network Integrating Binding Site Information for Drug Target Affinity Prediction☆20Feb 18, 2025Updated last year
- Code associated with "A Deep-Learning View of Chemical Space Designed to Facilitate Drug Discovery"☆24Feb 1, 2022Updated 4 years ago
- GNN property predictor -> molecular generator☆36Aug 14, 2025Updated last year
- ☆22Sep 24, 2022Updated 4 years ago
- ☆15Dec 15, 2019Updated 6 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.
- A repository to keep code for interaction frequency work going forwards.☆11Mar 21, 2022Updated 4 years ago
- Advanced Transport Phenomena course at Politecnico di Milano☆30Dec 16, 2025Updated 10 months ago
- Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"☆55Dec 16, 2022Updated 3 years ago
- Local-first molecular modeling, WebGPU simulation, and conformer exploration in the browser☆28Sep 25, 2026Updated last month
- Data science and machine learning in chemical engineering☆28May 27, 2020Updated 6 years ago
- ☆28Jun 29, 2025Updated last year
- ☆27Aug 12, 2025Updated last year
Are these results useful?