N-Gram Graph: Simple Unsupervised Representation for Graphs, NeurIPS'19 (https://arxiv.org/abs/1806.09206)
☆40Apr 14, 2021Updated 4 years ago
Alternatives and similar repositories for n_gram_graph
Users that are interested in n_gram_graph are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Code for Fold2Seq paper from ICML 2021☆50May 25, 2022Updated 3 years ago
- Integrating Deep Neural Networks and Symbolic Inference for Organic Reactivity Prediction☆13Jan 8, 2022Updated 4 years ago
- Open Drug Discovery Toolkit (ODDT) Notebooks 101☆20Jun 22, 2018Updated 7 years ago
- ☆78Sep 17, 2023Updated 2 years ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆47Jul 27, 2023Updated 2 years ago
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- ☆12Nov 22, 2024Updated last year
- This module includes functions that can be used to simulate mechanochemical phenomena.☆11Nov 16, 2021Updated 4 years ago
- ☆25Jan 4, 2024Updated 2 years ago
- My first ever repository, some notebooks useful, others sucks. Topics include file format conversion with obabel, docking with Auto Dock,…☆26Oct 22, 2025Updated 5 months ago
- CATH: high-throughput protein structure/function annotations☆12Dec 17, 2019Updated 6 years ago
- A demo project for a computation graph implementation in C++.☆11Jul 2, 2019Updated 6 years ago
- Self-supervised neural nets to understand protein mutations☆39Feb 8, 2026Updated last month
- Source code of the paper "Protein Sequence and Structure Co-Design with Equivariant Translation"☆24Sep 18, 2023Updated 2 years ago
- Recent application of graph neural network in drug discovery☆14Mar 19, 2020Updated 6 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- ☆35Feb 24, 2026Updated last month
- GemNet model in PyTorch, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)☆217Apr 26, 2023Updated 2 years ago
- LM-GVP: A Generalizable Deep Learning Framework for Protein Property Prediction from Sequence and Structure☆65Mar 4, 2024Updated 2 years ago
- Official repository for multitask deep learning models.☆19Dec 8, 2020Updated 5 years ago
- ☆34May 1, 2025Updated 10 months ago
- AGC-Net (Adaptive Graph Convolution Networks) is an advanced model designed to predict traffic flow. Dataset: METR-LA, PEMS-BAY☆12Sep 6, 2023Updated 2 years ago
- [ICLR 2022] OntoProtein: Protein Pretraining With Gene Ontology Embedding☆151Mar 10, 2025Updated last year
- Integrated physics-based and ligand-based modeling.☆70Oct 27, 2025Updated 5 months ago
- The code for our ICLR paper: StructPool: Structured Graph Pooling via Conditional Random Fields☆57Apr 27, 2020Updated 5 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Implementation of ICML 22 Paper: Scaling Structured Inference with Randomization☆13Jul 24, 2022Updated 3 years ago
- Given an image of a molecule create a smiles or mol represenatation.☆25May 28, 2021Updated 4 years ago
- Steerable E(3) GNN in jax☆24Oct 1, 2023Updated 2 years ago
- Tools to add restraints to FEP runs. Includes a workflow to determine reference structures and restraint widths from plain MD simulations…☆11Mar 12, 2026Updated 2 weeks ago
- ☆29Jun 23, 2023Updated 2 years ago
- Method for drug repurposing from knowledge graphs and literature☆36Aug 28, 2020Updated 5 years ago
- Implementation of Chroma, generative models of protein using DDPM and GNNs, in Pytorch☆160Dec 27, 2022Updated 3 years ago
- ATOM3D: tasks on molecules in three dimensions☆318Mar 2, 2023Updated 3 years ago
- A de novo prediction tool of chromatin accessible regions for plant genomes☆10Aug 12, 2021Updated 4 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.
- ☆11Aug 5, 2020Updated 5 years ago
- Normal Mode Analysis for Macromolecules☆18Apr 1, 2017Updated 8 years ago
- ☆10Jul 2, 2020Updated 5 years ago
- ☆10Jun 17, 2023Updated 2 years ago
- ☆49Sep 12, 2017Updated 8 years ago
- 💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)☆202Feb 12, 2023Updated 3 years ago
- Implementation of trRosetta and trDesign for Pytorch, made into a convenient package, for protein structure prediction and design☆83Aug 27, 2021Updated 4 years ago