KehanGuo2 / MolPuzzleLinks
[NeurIPS 24] Can LLMs Solve Molecule Puzzles? A Multimodal Benchmark for Molecular Structure Elucidation
☆15Updated 4 months ago
Alternatives and similar repositories for MolPuzzle
Users that are interested in MolPuzzle are comparing it to the libraries listed below
Sorting:
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆43Updated 2 years ago
- The PyTorch implementation of MoMu, described in "Natural Language-informed Modeling of Molecule Graphs".☆28Updated 2 years ago
- [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation☆31Updated 11 months ago
- ☆36Updated last year
- [EMNLP 2023] ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction.☆21Updated last year
- [COLING 2025]A curated paper list about LLMs for chemistry☆86Updated this week
- Code for generation and benchmarks of the Multimodal Spectroscopic Dataset☆44Updated last month
- ☆38Updated last week
- A Multi-modal Large Language Model for Molecular Science with Graph, Image, and Text☆30Updated 2 months ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆69Updated last year
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆38Updated 4 months ago
- Llamole: Multimodal Large Language Models for Inverse Molecular Design with Retrosynthetic Planning☆30Updated 9 months ago
- ☆50Updated last year
- Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023☆40Updated 10 months ago
- Serializing molecule 3D structures☆13Updated 8 months ago
- ☆13Updated 2 years ago
- ☆17Updated last year
- Official Code Repository for the paper "Mol-LLaMA: Towards General Understanding of Molecules in Large Molecular Language Model"☆17Updated 2 months ago
- Official repository for MolCRAFT series☆107Updated 3 weeks ago
- ☆11Updated 4 years ago
- ☆47Updated last year
- [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models☆48Updated 11 months ago
- ☆48Updated 3 years ago
- ☆26Updated 7 months ago
- Code for AAAI24 paper Text-Guided Molecule Generation with Diffusion Language Model☆19Updated last month
- Multimodal Pretraining for Unsupervised Protein Representation Learning☆22Updated last year
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆47Updated 2 years ago
- [NeurIPS 2023] "Understanding the Limitations of Deep Models for Molecular Property Prediction: Insights and Solutions"☆11Updated last year
- Triplet Graph Transformer☆47Updated last year
- [ACL 2024] ReactXT: Understanding Molecular “Reaction-ship” via Reaction-Contextualized Molecule-Text Pretraining. by Zhiyuan Liu*, Yaoru…☆21Updated 11 months ago