FanmengWang / WGFormerLinks
[ICML2025] The official implementation of "WGFormer: An SE(3)-Transformer Driven by Wasserstein Gradient Flows for Molecular Ground-State Conformation Prediction"
☆30Updated 3 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"☆31Updated 3 months ago
- Code for paper: "Fine-Tuning Discrete Diffusion Models via Reward Optimization with Applications to DNA and Protein Design"☆58Updated 4 months ago
- [EMNLP 2023] ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction.☆22Updated last year
- Evolutionary Algorithm with Diffusion Models for Protein Design☆27Updated 7 months ago
- Code for AAAI24 paper Text-Guided Molecule Generation with Diffusion Language Model☆27Updated 2 months ago
- [NeurIPS 2023] "Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules"☆39Updated last year
- [CIKM2023] The official implementation of "MPerformer: An SE(3) Transformer-based Molecular Perceptron"☆28Updated 10 months ago
- [CIKM2024] The official implementation of "MMPolymer: A Multimodal Multitask Pretraining Framework for Polymer Property Prediction"☆38Updated last month
- InstructMol: Multi-Modal Integration for Building a Versatile and Reliable Molecular Assistant in Drug Discovery (COLING 2025)☆50Updated 9 months ago
- The PyTorch implementation of MoMu, described in "Natural Language-informed Modeling of Molecule Graphs".☆29Updated 2 years ago
- This repository contains information on the creation, evaluation, and benchmark models for the L+M-24 Dataset. L+M-24 will be featured as…☆31Updated 7 months ago
- Retrieved Sequence Augmentation for Protein Representation Learning☆53Updated last year
- ☆14Updated 2 years ago
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆33Updated last year
- Official implementation for Learning Invariant Molecular Representation in Latent Discrete Space (NeurIPS 2023)☆21Updated last year
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆43Updated 2 years ago
- Geometric Algebra Flow Matching (GAFL) for Protein Backbone Generation☆14Updated 2 months ago
- Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023☆42Updated last year
- NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement☆47Updated last year
- The official implementation of DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design (ICML 2023)☆66Updated 2 years ago
- Learnable Global Pooling Layers Based on Regularized Optimal Transport (ROT)☆16Updated last year
- ☆12Updated last year
- Official implementation of "Learning the language of protein structures"☆39Updated 3 months ago
- Code for ICML 2024 paper "Learning to Predict Mutational Effects of Protein-Protein Interactions by Microenvironment-aware Hierarchical P…☆42Updated 11 months ago
- ☆12Updated last year
- [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation☆32Updated last year
- A Text-guided Protein Design Framework, Nat Mach Intell 2025 (https://www.nature.com/articles/s42256-025-01011-z)☆93Updated 8 months ago
- PyTorch code for KDD 2023 paper "Pre-training Antibody Language Models for Antigen-Specific Computational Antibody Design"☆53Updated last year
- Source code of the paper "Protein Sequence and Structure Co-Design with Equivariant Translation"☆24Updated 2 years ago
- ☆27Updated 2 years ago