SXKDZ / MARCELLinks
[ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles
☆43Updated 2 years ago
Alternatives and similar repositories for MARCEL
Users that are interested in MARCEL are comparing it to the libraries listed below
Sorting:
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆33Updated last year
- Triplet Graph Transformer☆47Updated last month
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆47Updated 2 years ago
- Official implementation of pre-training via denoising for TorchMD-NET☆97Updated 2 years ago
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆126Updated last year
- Molecular Hypergraph Neural Network☆38Updated 3 months ago
- Official Code Repository for the paper "Mol-LLaMA: Towards General Understanding of Molecules in Large Molecular Language Model"☆24Updated 3 weeks ago
- Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023☆43Updated last year
- A curated list of papers related to molecular diffusion models.☆64Updated 4 months ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆69Updated last year
- The official implementation of dual-view molecule pre-training.☆42Updated 3 years ago
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆37Updated 6 months ago
- The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"☆91Updated 4 months ago
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆48Updated 2 years ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Updated last year
- [NeurIPS 2023] "Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules"☆39Updated last year
- [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation☆32Updated last year
- Chemical-Reaction-Aware Molecule Representation Learning