☆10Apr 4, 2024Updated 2 years ago
Alternatives and similar repositories for MTMol-GPT
Users that are interested in MTMol-GPT 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 IDOLpro: Guided Multi-objective Generative AI to Enhance Structure-based Drug Design.☆16Jun 4, 2025Updated last year
- Augmented Memory and Beam Enumeration implementation☆27Jun 9, 2024Updated 2 years ago
- ☆11Jun 16, 2024Updated 2 years ago
- Pocket dynamics analysis tool☆18Sep 9, 2026Updated 2 months ago
- Examples of MolScore implementations☆12May 30, 2024Updated 2 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆16Dec 2, 2023Updated 2 years ago
- ☆10Sep 9, 2025Updated last year
- De novo drug design with deep interactome learning☆43Mar 20, 2026Updated 7 months ago
- Implementation of the Paper "Physics Informed Diffusion Model for Protein Pocket Specific 3D Molecular Generation" published in Computers…☆16Mar 14, 2024Updated 2 years ago
- POLYGON VAE For de novo Polypharmacology☆42Mar 5, 2025Updated last year
- ☆26Jul 14, 2024Updated 2 years ago
- Source code for ICLR 2021 paper: "Molecule Optimization by Explainable Evolution"☆31May 29, 2021Updated 5 years ago
- ☆20Jan 18, 2026Updated 9 months ago
- Base Scipion plugin defining objects and protocols for CHEMoinformatics☆15Updated this week
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆83Mar 27, 2025Updated last year
- Tokenizer for chemnical SMILES and SELFIES for use in transformers models.☆28Aug 22, 2025Updated last year
- Generator and regressor neural networks for antimicrobial peptides☆23Jan 30, 2024Updated 2 years ago
- ☆68Nov 28, 2023Updated 2 years ago
- ☆12Oct 9, 2024Updated 2 years ago
- ☆12May 16, 2020Updated 6 years ago
- Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation☆74Nov 6, 2025Updated last year
- ☆27Aug 25, 2026Updated 2 months ago
- ☆20Jun 21, 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.
- ☆15Nov 18, 2025Updated 11 months ago
- ☆12Oct 22, 2026Updated 3 weeks ago
- ☆10Jul 5, 2024Updated 2 years ago
- A ligand-and-structure dual-driven deep reinforcement learning method for target-specific molecular generation☆38May 16, 2025Updated last year
- Official repository for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)☆36Mar 19, 2025Updated last year
- Official implementation of "Dynamic Many-Objective Molecular Optimization: Unfolding Complexity with Objective Decomposition and Progress…☆10Aug 3, 2024Updated 2 years ago
- Binding affinity prediction for drug discovery☆10Aug 28, 2025Updated last year
- Code for paper 'Accelerating Antimicrobial Peptide Discovery with Latent Sequence-Structure Model'☆12Mar 21, 2024Updated 2 years ago
- ☆19May 15, 2025Updated last year
- 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.
- AlphaDrug: Protein Target Specific De Novo Molecular Generation☆42Oct 20, 2022Updated 4 years ago
- pymol implementation of WaterDock with Akshay Sridhar (@akshay-sridhar) and refactoring work by Patrick McCubbin (@mccubbinp)☆11Mar 25, 2024Updated 2 years ago
- Multi-Teacher Distillation for Protein embedding☆13May 31, 2024Updated 2 years ago
- Open-source protein-based pharmacophore modeling software☆43Feb 15, 2025Updated last year
- Extracting Predictive Representations from Transformer-based models.☆12Jun 15, 2026Updated 4 months ago
- ☆11Aug 24, 2025Updated last year
- ☆11Jul 15, 2021Updated 5 years ago
Are these results useful?