FanmengWang / WGFormerLinks
[ICML2025] The official implementation of "WGFormer: An SE(3)-Transformer Driven by Wasserstein Gradient Flows for Molecular Ground-State Conformation Prediction"
☆32Updated 7 months ago
Alternatives and similar repositories for WGFormer
Users that are interested in WGFormer are comparing it to the libraries listed below
Sorting:
- [ICML2025] The official implementation of "PolyConf: Unlocking Polymer Conformation Generation through Hierarchical Generative Models"☆32Updated 7 months ago
- Code for AAAI24 paper Text-Guided Molecule Generation with Diffusion Language Model☆29Updated 7 months ago
- [CIKM2024] The official implementation of "MMPolymer: A Multimodal Multitask Pretraining Framework for Polymer Property Prediction"☆38Updated 5 months ago
- Geometric Algebra Flow Matching (GAFL) for Protein Backbone Generation☆17Updated 3 months ago
- [CIKM2023] The official implementation of "MPerformer: An SE(3) Transformer-based Molecular Perceptron"☆28Updated last year
- Evolutionary Algorithm with Diffusion Models for Protein Design☆30Updated 3 weeks ago
- ☆27Updated 2 years ago
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆44Updated 2 years ago
- [EMNLP 2023] ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction.☆22Updated 2 years ago
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆33Updated last year
- Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023☆46Updated last year
- [NeurIPS 2023] "Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules"☆40Updated last year
- Code for Pre-training Protein Encoder via Siamese Sequence-Structure Diffusion Trajectory Prediction (https://arxiv.org/abs/2301.12068)☆42Updated 2 years ago
- NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement☆47Updated 2 years ago
- Source code of the paper "Protein Sequence and Structure Co-Design with Equivariant Translation"☆24Updated 2 years ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆47Updated 2 years ago
- Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion☆58Updated last year
- (differentiable) gradient-based optimization on a chemical graph for de novo molecule design/optimization (ICLR 2022)☆31Updated 2 years ago
- Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design☆39Updated last year
- coming soon☆28Updated 2 years ago
- The PyTorch implementation of MoMu, described in "Natural Language-informed Modeling of Molecule Graphs".☆29Updated 2 years ago
- Official Code Repository for the paper "Mol-LLaMA: Towards General Understanding of Molecules in Large Molecular Language Model"☆29Updated 4 months ago
- ☆10Updated 2 years ago
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆41Updated 9 months ago
- ☆12Updated last year
- Official implementation for the paper "EBMDOCK: NEURAL PROBABILISTIC PROTEIN-PROTEIN DOCKING VIA A DIFFERENTIABLE ENERGY-BASED MODEL" (IC…☆14Updated last year
- Official implementation of "Learning the language of protein structures"☆41Updated 7 months ago
- ☆14Updated 2 years ago
- Code for paper: "Fine-Tuning Discrete Diffusion Models via Reward Optimization with Applications to DNA and Protein Design"☆64Updated 8 months ago
- The source code of "Equivariant Spatio-Temporal Attentive Graph Networks to Simulate Physical Dynamics"☆27Updated last year