Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "
☆59Jun 29, 2023Updated 2 years ago
Alternatives and similar repositories for TrimNet
Users that are interested in TrimNet 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 "An adaptive graph learning method for automated molecular interactions and properties predictions".☆40Jan 14, 2023Updated 3 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆22Sep 20, 2021Updated 4 years ago
- ☆61Mar 24, 2019Updated 7 years ago
- ☆13Apr 14, 2022Updated 4 years ago
- graph learning code for ogb☆24Jul 21, 2021Updated 4 years ago
- Deploy open-source AI quickly and easily - Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Predicting Drug Protein Interaction using Quasi-Visual Question Answering System☆129Jul 25, 2024Updated last year
- Implementation of GEFA: Early Fusion Approach in Drug-Target Affinity Prediction☆22Sep 30, 2020Updated 5 years ago
- Code and analyses related to the ExaLearn drug design efforts☆11Sep 30, 2020Updated 5 years ago
- MolMapNet: An Efficient ConvNet with Knowledge-based Molecular Represenations for Molecular Deep Learning☆145Apr 8, 2026Updated last week
- ☆23May 9, 2025Updated 11 months ago
- ☆12Nov 15, 2020Updated 5 years ago
- ☆30Aug 24, 2023Updated 2 years ago
- https://www.kaggle.com/c/nbme-score-clinical-patient-notes☆10Sep 1, 2022Updated 3 years ago
- Heterogeneous Molecular Graph Neural Network☆28Sep 29, 2020Updated 5 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- My (small) research project in solubility of drug-like molecules☆17Jan 4, 2021Updated 5 years ago
- Bias-controlled 3D generative framework for structure-based ligand design☆17Nov 2, 2022Updated 3 years ago
- Twitter retrosynthesis bot☆13Jul 10, 2022Updated 3 years ago
- bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.☆488Oct 27, 2024Updated last year
- ☆48Oct 17, 2023Updated 2 years ago
- ☆166Mar 14, 2024Updated 2 years ago
- ☆14Dec 10, 2021Updated 4 years ago
- 💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)☆201Feb 12, 2023Updated 3 years ago
- A Spatial-temporal Gated Attention Module for Molecular Property Prediction Based on Molecular Geometry☆32Apr 17, 2021Updated 4 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility☆41Jul 6, 2021Updated 4 years ago
- ☆15Apr 30, 2025Updated 11 months ago
- PointSite: a point cloud segmentation tool for identification of protein ligand binding atoms☆57Mar 9, 2023Updated 3 years ago
- Codes, datasets and appendix for AAAI-2023 paper "Multi-relational Contrastive Learning Graph Neural Network for Drug-drug Interaction Ev…☆20Feb 24, 2025Updated last year
- ☆12Jun 11, 2025Updated 10 months ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 2 years ago
- DeeplyTough: Learning Structural Comparison of Protein Binding Sites☆167Apr 7, 2023Updated 3 years ago
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆112Jul 20, 2023Updated 2 years ago
- ☆419Apr 18, 2022Updated 3 years ago
- Serverless GPU API endpoints on Runpod - Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Hierarchical Generation of Molecular Graphs using Structural Motifs☆433Jun 28, 2022Updated 3 years ago
- ☆59Jul 16, 2021Updated 4 years ago
- Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".☆17Jan 17, 2023Updated 3 years ago
- Molecular Dynamic Graph Neural Network☆20Aug 5, 2021Updated 4 years ago
- Learning retrosynthetic pathway design using simulated experience☆20May 19, 2019Updated 6 years ago
- ☆36Dec 31, 2020Updated 5 years ago
- CReM: chemically reasonable mutations framework☆265Mar 17, 2026Updated 3 weeks ago