Code for "FG-BERT: A Self-Supervised Molecular Representation Learning Method Based on Functional Groups"
☆30Jan 16, 2024Updated 2 years ago
Alternatives and similar repositories for FG-BERT
Users that are interested in FG-BERT are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"☆55Dec 16, 2022Updated 3 years ago
- ☆32May 14, 2025Updated last year
- ☆71Mar 13, 2023Updated 3 years ago
- ☆12Jan 28, 2024Updated 2 years ago
- ☆17May 14, 2022Updated 4 years 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.
- ☆28Oct 31, 2022Updated 4 years ago
- ☆13Apr 15, 2024Updated 2 years ago
- ☆10Dec 8, 2025Updated 10 months ago
- NMT based SMILES to IUPAC Translator☆22Jul 16, 2025Updated last year
- Can Text-based Knowledge Graph Completion Benefit From Zero-Shot Large Language Models?☆18Dec 9, 2024Updated last year
- Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…☆18Jun 27, 2023Updated 3 years ago
- TarPass, a benchmark for target-aware de novo molecular generation.☆16Sep 23, 2026Updated last month
- ☆32Aug 28, 2025Updated last year
- ☆12Jul 2, 2024Updated 2 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- AssayBench: An Assay-Level Virtual Cell Benchmark for LLMs and Agents☆18Sep 30, 2026Updated last month
- The code for SCAGE.☆25Nov 30, 2025Updated 11 months ago
- ☆16Jul 13, 2025Updated last year
- "MUFFIN: Multi-Scale Feature Fusion for Drug–Drug Interaction Prediction".☆13Mar 29, 2022Updated 4 years ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 3 years ago
- ☆43Jul 8, 2023Updated 3 years ago
- K-BERT for molecular property prediction.☆31Jul 25, 2022Updated 4 years ago
- ☆10Jun 8, 2023Updated 3 years ago
- ☆11Jun 7, 2024Updated 2 years ago
- 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.
- RINGER: Rapid Conformer Generation for Macrocycles with Sequence-Conditioned Internal Coordinate Diffusion☆25Oct 14, 2026Updated 2 weeks ago
- [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"☆136Jun 9, 2023Updated 3 years ago
- An introduction to small molecule drug design with practicals☆15Sep 10, 2026Updated last month
- Chemical Science 2023: An equivariant generative framework for molecular graph-structure Co-design☆10Jun 18, 2023Updated 3 years ago
- Virtual screening approach for fragments selection and merging to lead-like compounds☆13Aug 20, 2021Updated 5 years ago
- ☆14Oct 9, 2024Updated 2 years ago
- Enhanced Thompson Sampling☆12Apr 14, 2025Updated last year
- Lo-Hi: Practical ML Drug Discovery Benchmark paper☆12Nov 13, 2023Updated 2 years ago
- PROTAC-Splitter: a machine learning framework designed for automated annotation of PROTAC substructures.☆31Oct 14, 2026Updated 2 weeks ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Interface-aware molecular generative framework for protein-protein interaction modulators☆21Dec 22, 2024Updated last year
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆12Feb 22, 2024Updated 2 years ago
- Auto-regressive causal language model for molecule (SMILES) and reaction template (SMARTS) generation based on the Hugging Face implement…☆20Jun 1, 2024Updated 2 years ago
- DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…☆31Jun 30, 2025Updated last year
- Code for AAAI24 paper Text-Guided Molecule Generation with Diffusion Language Model☆34Jun 24, 2025Updated last year
- ☆14May 15, 2024Updated 2 years ago
- ☆13Jun 7, 2024Updated 2 years ago