FanmengWang / MMPolymerLinks
[CIKM2024] The official implementation of "MMPolymer: A Multimodal Multitask Pretraining Framework for Polymer Property Prediction"
☆39Updated 4 months ago
Alternatives and similar repositories for MMPolymer
Users that are interested in MMPolymer are comparing it to the libraries listed below
Sorting:
- [ICML2025] The official implementation of "PolyConf: Unlocking Polymer Conformation Generation through Hierarchical Generative Models"☆32Updated 6 months ago
- Official implementation of HEGNN, a novel high-degree equivariant graph neural network proposed in the NeurIPS 2024 paper 'Are High-Degre…☆30Updated 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
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆40Updated 8 months ago
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆33Updated last year
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Updated last year
- The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"☆101Updated 6 months ago
- ☆17Updated last year
- [CIKM2023] The official implementation of "MPerformer: An SE(3) Transformer-based Molecular Perceptron"☆28Updated last year
- Official implementation of pre-training via denoising for TorchMD-NET☆98Updated 2 years ago
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆79Updated last year
- Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"☆40Updated last year
- Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation☆51Updated 2 years ago
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆44Updated 2 years ago
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆50Updated 2 years ago
- [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation☆34Updated last year
- A curated list of papers related to molecular diffusion models.☆75Updated 6 months ago
- Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"☆59Updated last year
- Official Code Repository for the paper "Mol-LLaMA: Towards General Understanding of Molecules in Large Molecular Language Model"☆28Updated 3 months ago
- [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"☆128Updated 2 years ago
- [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models☆53Updated last year
- Code for AAAI24 paper Text-Guided Molecule Generation with Diffusion Language Model☆29Updated 6 months ago
- Official code repository for the paper Exploring Chemical Space with Score-based Out-of-distribution Generation (ICML 2023)☆41Updated last year
- This is the official implementation for Equivariant Enengy-guided SDE for Inverse Molecule Design (ICLR 2023)☆48Updated 2 years ago
- Source code of "Improving Equivariant Graph Neural Networks on Large Geometric Graphs via Virtual Nodes Learning"☆28Updated 6 months ago
- Code for AAAI24 paper Text-Guided Molecule Generation with Diffusion Language Model☆21Updated 6 months ago
- The official implementation of DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design (ICML 2023)☆69Updated 2 years ago
- ☆20Updated 5 months ago
- This repo contains the codes for our paper: Molecule Generation by Principal Subgraph Mining and Assembling.☆43Updated last year
- This is the official code for MolReasoner: Toward Effective and Interpretable Reasoning for Molecular LLMs☆43Updated 4 months ago