DongkiKim95 / Mol-LLaMALinks
Official Code Repository for the paper "Mol-LLaMA: Towards General Understanding of Molecules in Large Molecular Language Model"
☆26Updated last month
Alternatives and similar repositories for Mol-LLaMA
Users that are interested in Mol-LLaMA are comparing it to the libraries listed below
Sorting:
- ☆42Updated 3 weeks ago
- [NeurIPS 24] Can LLMs Solve Molecule Puzzles? A Multimodal Benchmark for Molecular Structure Elucidation☆16Updated 8 months ago
- The official implementation of LinkerNet: Fragment Poses and Linker Co-Design with 3D Equivariant Diffusion (NeurIPS 2023 Spotlight)☆13Updated last year
- Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)☆53Updated last week
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆47Updated 2 years ago
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆33Updated last year
- ☆37Updated 7 months ago
- Official Implementation of Expressivity and Generalization: Fragment-Biases for Molecular GNNs☆19Updated last year
- Code for AAAI24 paper Text-Guided Molecule Generation with Diffusion Language Model☆21Updated 4 months ago
- Code for generation and benchmarks of the Multimodal Spectroscopic Dataset☆49Updated 4 months ago
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆49Updated 2 years ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆70Updated last year
- Molecular Hypergraph Neural Network☆40Updated 4 months ago
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆39Updated 7 months ago
- ChemBFN: Bayesian Flow Network Framework for Chemistry Tasks. Developed in Hiroshima University.☆27Updated 2 weeks ago
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆43Updated 2 years ago
- ICLR 2025 paper: 3DMolFormer: A Dual-channel Framework for Structure-based Drug Discovery☆26Updated 6 months ago
- SIU: A Million-Scale Structural Small Molecule-Protein Interaction Dataset for Unbiased Bioactivity Prediction☆16Updated 9 months ago
- Obtain and organize all feasible fragmentation of molecular methods☆33Updated 2 years ago
- A simple molecule fragmentation method.☆38Updated 2 years ago
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆30Updated last year
- Offical repository for the paper "Llamol: a dynamic multi-conditional generative transformer for de novo molecular design" (https://doi.o…☆30Updated last year
- ☆15Updated last year
- ☆17Updated last year
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆35Updated last year
- [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation☆32Updated last year
- Source code for Single-step Retrosynthesis Prediction by Leveraging Commonly Preserved Substructures☆14Updated 2 years ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆31Updated last year
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- Implementation of GTMGC: Using Graph Transformer to Predict Molecule’s Ground-State Conformation (ICLR2024 Spotlight).☆18Updated last year