a multi-property optimization method.
☆31Dec 10, 2024Updated last year
Alternatives and similar repositories for Prompt-MolOpt
Users that are interested in Prompt-MolOpt are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- structure-based explanation methods☆29Apr 27, 2024Updated last year
- ☆42Nov 29, 2025Updated 3 months ago
- ☆17Sep 4, 2023Updated 2 years ago
- ☆22Sep 24, 2022Updated 3 years ago
- ☆28Mar 16, 2023Updated 3 years ago
- NordVPN Special Discount Offer • AdSave on top-rated NordVPN 1 or 2-year plans with secure browsing, privacy protection, and support for for all major platforms.
- Diffusion-based generative drug-like molecular editing with chemical natural language☆18Dec 22, 2024Updated last year
- MGA☆44Jan 15, 2021Updated 5 years ago
- ☆11Oct 14, 2023Updated 2 years ago
- Token-Mol 1.0：tokenized drug design with large language model☆61Dec 9, 2025Updated 3 months ago
- The central entry point to the P2Rank project with links to the individual projects, including references to documentation, datasets, etc…☆13Feb 11, 2026Updated last month
- MMGX: Multiple Molecular Graph eXplainable Discovery☆22Jan 8, 2026Updated 2 months ago
- benchmarking AI-powered docking methods from the perspective of virtual screening☆33Dec 26, 2024Updated last year
- ☆14Jul 5, 2022Updated 3 years ago
- A molecule generative model used interaction fingerprint (docking pose) as constraints.☆15Feb 13, 2022Updated 4 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- A SMILES-based encoder-decoder architecture for molecular scaffold decoration☆83May 8, 2020Updated 5 years ago
- Extended version of the Chemprop framework that allows the calculation of atomistic and molecular Jazzy/Kallisto features.☆16Jan 10, 2025Updated last year
- A deep learning framework for accurate reaction prediction and its application on high-throughput experimentation data☆17Aug 8, 2023Updated 2 years ago
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆35Oct 21, 2022Updated 3 years ago
- SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation☆74Nov 23, 2024Updated last year
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆70Nov 20, 2023Updated 2 years ago
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆33Mar 29, 2024Updated last year
- eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.☆51Sep 3, 2020Updated 5 years ago
- predicting AlogP with machine or deep learning☆10Feb 28, 2021Updated 5 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- ☆17Dec 5, 2024Updated last year
- ☆17Mar 23, 2021Updated 5 years ago
- KDS software for Kinase Drug Selectivity☆11Jun 8, 2023Updated 2 years ago
- ☆41Jun 3, 2025Updated 9 months ago
- [ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedback☆189Dec 17, 2024Updated last year
- ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein-Specific Molecular Generation☆16Dec 14, 2023Updated 2 years ago
- DTITR: End-to-End Drug-Target Binding Affinity Prediction with Transformers☆15Nov 8, 2023Updated 2 years ago
- ☆14Dec 29, 2022Updated 3 years ago
- RDKit中文教程☆16Jun 21, 2020Updated 5 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆15Sep 27, 2024Updated last year
- ☆30Mar 11, 2023Updated 3 years ago
- ☆18Aug 5, 2023Updated 2 years ago
- A tool for evaluating the predictive performance on activity cliff compounds of machine learning models☆208Feb 15, 2025Updated last year
- ☆16Sep 15, 2025Updated 6 months ago
- ☆59Feb 17, 2026Updated last month
- ☆17May 14, 2022Updated 3 years ago