The official implementation of NeurIPS2024 paper "SubgDiff: A Subgraph Diffusion Model to Improve Molecular Representation Learning."
☆11May 28, 2025Updated last year
Alternatives and similar repositories for SubgDiff
Users that are interested in SubgDiff are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆17Jun 24, 2024Updated 2 years ago
- [NeurIPS 2023] "Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules"☆41Mar 16, 2024Updated 2 years ago
- ICLR 2025: We propose Atomas, a hierarchical molecular representation learning framework that jointly learns representations from SMILES …☆20Feb 24, 2025Updated last year
- [ICLR'23 Spotlight] gDDIM: analyze and accelerate general diffusion models, isotropic and non-isotropic☆49Oct 21, 2023Updated 2 years ago
- Code for AdaXpert (ICML'21)☆16Jul 19, 2021Updated 5 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- Code fo ICLR2025 paper "A Simple yet Effective DDG Predictor is An Unsupervised Antibody Optimizer and Explainer"☆25Jul 18, 2025Updated last year
- [NeurIPS'23] Source code of "Data-Centric Learning from Unlabeled Graphs with Diffusion Model": A data-centric transfer learning framewor…☆22Jun 4, 2025Updated last year
- The official codes and implementations of HimGNN model in paper:"HimGNN:a novel hierarchical molecular representations learning framewor…☆23Aug 30, 2023Updated 3 years ago
- Data and code required to reach the main conclusions of the fastsmcg paper☆11Sep 19, 2023Updated 3 years ago
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆13Jun 22, 2023Updated 3 years ago
- Source Code of IJCAI 2022 paper "Fine-Tuning Graph Neural Networks via Graph Topology induced Optimal Transport"☆23Aug 22, 2022Updated 4 years ago
- Python and Fortran Numerical Implementations of the Polya Enumeration Theorem☆13Nov 9, 2016Updated 9 years ago
- Data release for Step Differences in Instructional Video (CVPR24)☆15Jun 19, 2024Updated 2 years ago
- Implementation codes for NeurIPS23 paper "Spectral Invariant Learning for Dynamic Graphs under Distribution Shifts"☆14Mar 19, 2024Updated 2 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Code of Anomaly Detection by Leveraging Incomplete Anomalous Knowledge with Anomaly-Aware Bidirectional GANs☆22Mar 3, 2023Updated 3 years ago
- DNA-D2S: a systematic error simulation Model for DNA Data Storage channel☆12Feb 14, 2022Updated 4 years ago
- Counterfactual Inference by Machine Learning and Attribution Models☆15Aug 24, 2023Updated 3 years ago
- Official code base for "General Binding Affinity Guidance for Diffusion Models in Structure-Based Drug Design"☆15Jul 18, 2025Updated last year
- ☆16Aug 8, 2025Updated last year
- This repository is contains several Automated feature selection methods in CTR Predicition.☆10Dec 18, 2022Updated 3 years ago
- This is the official implementation for Equivariant Enengy-guided SDE for Inverse Molecule Design (ICLR 2023)☆53Sep 14, 2023Updated 3 years ago
- Code for the paper "Spectrum Guided Topology Augmentation for Graph Contrastive Learning"☆11Jul 18, 2023Updated 3 years ago
- Repo for the paper "Exploiting redundancy in large materials datasets for efficient machine learning with less data"☆11Sep 23, 2024Updated 2 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆11Jan 17, 2025Updated last year
- The source code of PGD-VAE☆12Dec 8, 2022Updated 3 years ago
- Iterative Contrast-Classify For Semi-supervised Temporal Action Segmentation☆11Jul 24, 2023Updated 3 years ago
- Applying Evolutionary Computing to Embeddings of Diffusion Models☆16Jun 6, 2026Updated 4 months ago
- Welcome to FLSim_V2, a PyTorch based federated Reinforcement learning simulation framework☆10Dec 15, 2022Updated 3 years ago
- Ramirez Lab WIKI, where you could find Tutorials, Script Library, Gallery, FAQ, and a little bit more☆13Sep 11, 2024Updated 2 years ago
- ☆15Feb 19, 2025Updated last year
- the source code of IJCAI 2023 paper "Multi-Scale subgraph contrastive learning"☆11Apr 25, 2023Updated 3 years ago
- [ICML 2022] pGNN, p-Laplacian Based Graph Neural Networks☆27Aug 26, 2025Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- This program computes the sum-frequency generation (SFG) spectrum for a give MD trajectory of interfacial water molecules. The program ca…☆13Jul 24, 2023Updated 3 years ago
- Build neural networks for machine learning force fields with JAX☆138Jun 2, 2025Updated last year
- Weakly-supervised action segmentation in video☆16Feb 13, 2022Updated 4 years ago
- Solar system animation written in WebGL.☆10Dec 11, 2021Updated 4 years ago
- Benchmarking compound activity prediction for real-world drug discovery applications☆14May 7, 2024Updated 2 years ago
- ☆10Jun 10, 2024Updated 2 years ago
- ☆19Sep 4, 2025Updated last year