[ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedback
☆195Dec 17, 2024Updated last year
Alternatives and similar repositories for MolGen
Users that are interested in MolGen are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- [ICLR 2024] Mol-Instructions: A Large-Scale Biomolecular Instruction Dataset for Large Language Models☆294Oct 28, 2024Updated last year
- RetroBridge: Markov Bridge Model for Retrosynthesis Planning☆36Mar 26, 2024Updated 2 years ago
- Code and data for the Nature Machine Intelligence paper "Knowledge graph-enhanced molecular contrastive learning with functional prompt".☆138Mar 18, 2024Updated 2 years ago
- ☆42Mar 26, 2025Updated last year
- ☆171Jul 15, 2023Updated 2 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.
- [NeurIPS 2023] "Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules"☆41Mar 16, 2024Updated 2 years ago
- Structure-based drug design based on Retrieval Augmented Generation☆28Nov 7, 2025Updated 7 months ago
- Multi-modal Molecule Structure-text Model for Text-based Editing and Retrieval, Nat Mach Intell 2023 (https://www.nature.com/articles/s42…☆258Jun 27, 2025Updated last year
- [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"☆133Jun 9, 2023Updated 3 years ago
- Active learning workflow to train and fine-tune molecular property predictors with chemist feedback for goal-oriented molecule generation…☆15Apr 25, 2025Updated last year
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 2 years ago
- Llamole: Multimodal Large Language Models for Inverse Molecular Design with Retrosynthetic Planning☆43Oct 10, 2024Updated last year
- [EMNLP 2023] ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction.☆22Jan 28, 2024Updated 2 years ago
- InstructMol: Multi-Modal Integration for Building a Versatile and Reliable Molecular Assistant in Drug Discovery (COLING 2025)☆54Dec 2, 2024Updated last year
- 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.
- Official implementation for Learning Invariant Molecular Representation in Latent Discrete Space (NeurIPS 2023)☆24Oct 16, 2023Updated 2 years ago
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆46Jun 14, 2023Updated 3 years ago
- [NeurIPS 24] Can LLMs Solve Molecule Puzzles? A Multimodal Benchmark for Molecular Structure Elucidation☆20Jan 2, 2026Updated 5 months ago
- a multi-property optimization method.☆34Dec 10, 2024Updated last year
- ☆29Mar 16, 2023Updated 3 years ago
- Awesome papers related to generative molecular modeling and design.☆343Jun 14, 2026Updated 2 weeks ago
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆35Mar 29, 2024Updated 2 years ago
- LLM for Drug Editing, ICLR 2024☆160May 28, 2024Updated 2 years ago
- A new retrieval-based framework for controllable molecule generation.☆52Apr 22, 2023Updated 3 years 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.
- [IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models☆540Jun 17, 2023Updated 3 years ago
- Benchmarks for generative chemistry☆524Feb 11, 2024Updated 2 years ago
- RL-GraphINVENT is a platform for graph-based targeted molecular generation using graph neural networks and reinforcement learning. RL-Gra…☆80May 11, 2023Updated 3 years ago
- A quantitative benchmark and analysis of molecular large language models.☆19Jun 3, 2025Updated last year
- AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.☆797Jun 22, 2026Updated last week
- ☆29Oct 7, 2024Updated last year
- Chemical Science 2023: An equivariant generative framework for molecular graph-structure Co-design☆10Jun 18, 2023Updated 3 years ago
- Official Repository for the Uni-Mol Series Methods☆1,121May 29, 2025Updated last year
- List of Molecular and Material design using Generative AI and Deep Learning☆944Jun 23, 2026Updated last week
- 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.
- Examples of MolScore implementations☆12May 30, 2024Updated 2 years ago
- This is the code of paper "De Novo Molecular Generation via Connection-aware Motif Mining". Zijie Geng, Shufang Xie, Yingce Xia, Lijun Wu…☆61Jan 7, 2025Updated last year
- Hierarchical Generation of Molecular Graphs using Structural Motifs☆438Jun 28, 2022Updated 4 years ago
- Automatic Fragment Linking with Deep Conditional Transformer Neural Networks☆54Feb 27, 2022Updated 4 years ago
- ☆33May 30, 2023Updated 3 years ago
- [NeurIPS 2025] PRING: Rethinking Protein-Protein Interaction Prediciton from Pairs to Graphs☆22Oct 1, 2025Updated 8 months ago
- Code and Data for the paper: Molecular Contrastive Learning with Chemical Element Knowledge Graph [AAAI 2022]☆91Feb 3, 2024Updated 2 years ago