☆29Sep 9, 2025Updated 11 months ago
Alternatives and similar repositories for RSGPT
Users that are interested in RSGPT are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- RetroDFM-R: Reasoning-Driven Retrosynthesis Prediction with Large Language Models via Reinforcement Learning☆23Nov 22, 2025Updated 8 months ago
- ☆15Apr 16, 2025Updated last year
- This repository contains a reaction condition selector.☆17Mar 19, 2025Updated last year
- A refined evaluation pipeline for 3D molecular generative models trained on GEOM-Drugs.☆16Sep 10, 2025Updated 11 months ago
- [WWW 25] USPTO-LLM: A Large Language Model-Assisted Information-enriched Chemical Reaction Dataset☆20Dec 12, 2024Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- source code for deppHop☆36Aug 19, 2022Updated 3 years ago
- 3D-MolT5: Leveraging Discrete Structural Information for Molecule-Text Modeling (ICLR 2025)☆19Oct 23, 2025Updated 9 months ago
- ☆71Nov 7, 2023Updated 2 years ago
- Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design☆20Jul 26, 2023Updated 3 years ago
- ☆34Apr 23, 2026Updated 3 months ago
- Bias-controlled 3D generative framework for structure-based ligand design☆17Nov 2, 2022Updated 3 years ago
- RetroExplainer: A chemical knowledge and deep-leaning guided molecular assembly approach for retrosynthesis prediction with quantitative …☆84Nov 22, 2023Updated 2 years ago
- Official Code Repository for the paper "Mol-LLaMA: Towards General Understanding of Molecules in Large Molecular Language Model"☆32Sep 30, 2025Updated 10 months ago
- ☆23Dec 4, 2024Updated last year
- 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.
- ☆15Sep 27, 2024Updated last year
- Official code of Graph Truncated Attention for Retrosynthesis in AAAI2021☆14Apr 10, 2023Updated 3 years ago
- A PyTorch implementation of Uni-Mol3.☆24Mar 24, 2026Updated 4 months ago
- [ACL 2024] ReactXT: Understanding Molecular “Reaction-ship” via Reaction-Contextualized Molecule-Text Pretraining. by Zhiyuan Liu*, Yaoru…☆30Sep 3, 2024Updated last year
- Multiple Optimized Specialists for AI-Driven Chemical Predictions☆113Feb 3, 2026Updated 6 months ago
- The official repository for "Multi-channel learning for integrating structural hierarchies into context-dependent molecular representatio…☆15Feb 25, 2025Updated last year
- Code for InstructBioMol, implementing the Nature Machine Intelligence paper "Advancing Biomolecular Understanding and Design Following Hu…☆31Aug 2, 2025Updated last year
- Retrosynthesis Prediction with an Iterative String Editing Model☆35Dec 27, 2024Updated last year
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆46Jun 14, 2023Updated 3 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.
- ☆42Jun 3, 2025Updated last year
- Code for the paper "Exploiting Pretrained Biochemical Language Models for Targeted Drug Design", to appear in Bioinformatics, Proceedings…☆18Feb 26, 2024Updated 2 years ago
- A Multi-modal Large Language Model for Molecular Science with Graph, Image, and Text☆38Oct 22, 2025Updated 9 months ago
- ☆17May 25, 2025Updated last year
- Generative Pre-Training from Molecules☆22Apr 22, 2023Updated 3 years ago
- ☆16Nov 4, 2024Updated last year
- Chemical reaction data & benchmarks. Extraction and cleaning of data from Open Reaction Database (ORD)☆126Jul 14, 2025Updated last year
- ☆14Mar 2, 2023Updated 3 years ago
- DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis☆29May 7, 2026Updated 3 months 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.
- Large Language Models in Molecular Embeddings☆12May 1, 2024Updated 2 years ago
- Data for our paper "Chemical Reaction Practicality Judgment via Deep Symbol Artificial Intelligence"☆24Aug 4, 2023Updated 3 years ago
- Package for Retrosynthetic Planning☆206Aug 3, 2026Updated last week
- Molecular Reinforcement Learning with Adaptive Intrinsic Reward for Goal-directed Molecular Generation.☆29Dec 2, 2025Updated 8 months ago
- RetroCast: A Unified Format for Multistep Retrosynthesis☆26Updated this week
- ☆45May 13, 2026Updated 3 months ago
- ReTReK: data-driven ReTrosynthesis planning application using Retrosynthesis Knowledge☆35Jul 12, 2023Updated 3 years ago