[ICML 2023] FusionRetro: Molecule Representation Fusion via In-Context Learning for Retrosynthetic Planning
☆22Oct 18, 2024Updated last year
Alternatives and similar repositories for FusionRetro
Users that are interested in FusionRetro are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆29Dec 13, 2023Updated 2 years ago
- Precise reaction atom-to-atom mapping with LocalMapper☆48Jan 27, 2026Updated 4 months ago
- Contains results and data from Augmented Transformer article☆39Jul 31, 2020Updated 5 years ago
- ☆67May 25, 2021Updated 5 years ago
- ☆25Aug 24, 2023Updated 2 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 Sequence Generation Model for Reaction Diagram Parsing☆114Sep 18, 2023Updated 2 years ago
- ☆10Dec 17, 2020Updated 5 years ago
- ☆51Aug 8, 2022Updated 3 years ago
- ☆10Jul 30, 2024Updated last year
- ☆13Nov 1, 2023Updated 2 years ago
- Implementation of "Denoise Pretraining on Non-equilibrium Molecular Conformations for Accurate and Transferable Neural Potentials" in PyT…☆14Jul 26, 2023Updated 2 years ago
- This is a repository for paper titled, PlaSma: Making Small Language Models Better Procedural Knowledge Models for (Counterfactual) Plann…☆14Nov 3, 2023Updated 2 years ago
- ☆70Nov 7, 2023Updated 2 years ago
- Chemistry-related Python utilities used in the RXN universe☆25Jul 18, 2024Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication☆37Sep 1, 2022Updated 3 years ago
- Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)☆35Mar 19, 2025Updated last year
- A suite of simple programs to test Intels' TSX extension☆14May 13, 2017Updated 9 years ago
- Official code of Graph Truncated Attention for Retrosynthesis in AAAI2021☆14Apr 10, 2023Updated 3 years ago
- Hierarchical template correction for chemical reactions☆22Aug 9, 2024Updated last year
- Code for "Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph Edits"☆62Mar 7, 2023Updated 3 years ago
- ☆10Apr 17, 2024Updated 2 years ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆48Jul 27, 2023Updated 2 years ago
- PyTorch code accompanying the paper "Self-Improved Retrosynthetic Planning" (ICML 2021).☆25Jun 10, 2021Updated 4 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.
- ☆16Nov 19, 2021Updated 4 years ago
- A quantitative benchmark and analysis of molecular large language models.☆19Jun 3, 2025Updated 11 months ago
- ☆14Apr 16, 2024Updated 2 years ago
- Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms☆31Dec 8, 2023Updated 2 years ago
- Library for processing molecules and reactions in python way☆52May 10, 2026Updated 2 weeks ago
- [NeurIPS 2023] The source code of "Equivariant Spatio-Temporal Attentive Graph Networks to Simulate Physical Dynamics"☆28Aug 6, 2024Updated last year
- Implementation of the paper "Neuraldecipher - Reverse-engineering extended-connectivity fingerprints (ECFPs) to their molecular structure…☆26Oct 1, 2020Updated 5 years ago
- Code for Pre-training Protein Encoder via Siamese Sequence-Structure Diffusion Trajectory Prediction (https://arxiv.org/abs/2301.12068)☆42Jul 9, 2023Updated 2 years ago
- [CVPR 26] MarkushGrapher-2: End-to-end Multimodal Recognition of Chemical Structures☆59Apr 24, 2026Updated last month
- 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.
- Graph based Reaction Template Extraction☆36Jul 18, 2025Updated 10 months ago
- "Editing Motion Graphics Video via Motion Vectorization and Transformation." SIGGRAPH Asia 2023.☆13Jan 24, 2024Updated 2 years ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Sep 14, 2024Updated last year
- ☆17Feb 3, 2025Updated last year
- A Sequence Generation Model for Reaction Diagram Parsing☆28Jun 30, 2025Updated 10 months ago
- Official implementation for Learning Invariant Molecular Representation in Latent Discrete Space (NeurIPS 2023)☆23Oct 16, 2023Updated 2 years ago
- Energy-based modeling of chemical reactions☆35Dec 15, 2022Updated 3 years ago