{"id":15640751,"url":"https://github.com/rusty1s/himp-gnn","last_synced_at":"2025-04-30T08:58:55.996Z","repository":{"id":94688637,"uuid":"274122540","full_name":"rusty1s/himp-gnn","owner":"rusty1s","description":"Hierarchical Inter-Message Passing for Learning on Molecular Graphs","archived":false,"fork":false,"pushed_at":"2021-12-07T09:48:13.000Z","size":167,"stargazers_count":77,"open_issues_count":5,"forks_count":6,"subscribers_count":5,"default_branch":"master","last_synced_at":"2024-11-29T18:39:54.326Z","etag":null,"topics":["geometric-deep-learning","graph-neural-networks","graph-pooling","junction-tree","molecular-graph","pytorch"],"latest_commit_sha":null,"homepage":"https://arxiv.org/abs/2006.12179","language":"Python","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":null,"status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/rusty1s.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":null,"code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null}},"created_at":"2020-06-22T11:48:01.000Z","updated_at":"2024-10-06T23:47:45.000Z","dependencies_parsed_at":"2023-03-17T15:46:03.150Z","dependency_job_id":null,"html_url":"https://github.com/rusty1s/himp-gnn","commit_stats":null,"previous_names":[],"tags_count":0,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/rusty1s%2Fhimp-gnn","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/rusty1s%2Fhimp-gnn/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/rusty1s%2Fhimp-gnn/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/rusty1s%2Fhimp-gnn/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/rusty1s","download_url":"https://codeload.github.com/rusty1s/himp-gnn/tar.gz/refs/heads/master","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":228348363,"owners_count":17905897,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2022-07-04T15:15:14.044Z","host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":["geometric-deep-learning","graph-neural-networks","graph-pooling","junction-tree","molecular-graph","pytorch"],"created_at":"2024-10-03T11:39:38.384Z","updated_at":"2024-12-05T17:50:30.948Z","avatar_url":"https://github.com/rusty1s.png","language":"Python","funding_links":[],"categories":[],"sub_categories":[],"readme":"\u003ch2 align=\"center\"\u003eHierarchical Inter-Message Passing for Learning on Molecular Graphs\u003c/h2\u003e\n\n\u003cimg width=\"100%\" src=\"https://raw.githubusercontent.com/rusty1s/himp-gnn/master/overview.png\" /\u003e\n\n--------------------------------------------------------------------------------\n\nThis is a PyTorch implementation of **Hierarchical Inter-Message Passing for Learning on Molecular Graphs**, as described in our paper:\n\nMatthias Fey, Jan-Gin Yuen, Frank Weichert: [Hierarchical Inter-Message Passing for Learning on Molecular Graphs](https://arxiv.org/abs/2006.12179) *(GRL+ 2020)*\n\n## Requirements\n\n* **[PyTorch](https://pytorch.org/get-started/locally/)** (\u003e=1.4.0)\n* **[PyTorch Geometric](https://github.com/rusty1s/pytorch_geometric)** (\u003e=1.5.0)\n* **[OGB](https://ogb.stanford.edu/)** (\u003e=1.1.0)\n\n## Experiments\n\nExperiments can be run via:\n\n```\n$ python train_zinc_subset.py\n$ python train_zinc_full.py\n$ python train_hiv.py\n$ python train_muv.py\n$ python train_tox21.py\n$ python train_ogbhiv.py\n$ python train_ogbpcba.py\n```\n\n## Cite\n\nPlease cite [our paper](https://arxiv.org/abs/2006.12179) if you use this code in your own work:\n\n```\n@inproceedings{Fey/etal/2020,\n  title={Hierarchical Inter-Message Passing for Learning on Molecular Graphs},\n  author={Fey, M. and Yuen, J. G. and Weichert, F.},\n  booktitle={ICML Graph Representation Learning and Beyond (GRL+) Workhop},\n  year={2020},\n}\n```\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Frusty1s%2Fhimp-gnn","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Frusty1s%2Fhimp-gnn","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Frusty1s%2Fhimp-gnn/lists"}