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 3 years ago
- graph learning code for ogb☆24Jul 21, 2021Updated 4 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Predicting Drug Protein Interaction using Quasi-Visual Question Answering System☆127Jul 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☆145Oct 26, 2025Updated 4 months ago
- "Oblique Decision Trees from Derivatives of ReLU Networks" (ICLR 2020, previously called "Locally Constant Networks")☆21Apr 27, 2021Updated 4 years ago
- ☆23May 9, 2025Updated 10 months ago
- ☆12Nov 15, 2020Updated 5 years ago
- ☆29Aug 24, 2023Updated 2 years ago
- https://www.kaggle.com/c/nbme-score-clinical-patient-notes☆10Sep 1, 2022Updated 3 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Heterogeneous Molecular Graph Neural Network☆28Sep 29, 2020Updated 5 years ago
- 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
- ☆166Mar 14, 2024Updated 2 years ago
- ☆47Oct 17, 2023Updated 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
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- A Spatial-temporal Gated Attention Module for Molecular Property Prediction Based on Molecular Geometry☆32Apr 17, 2021Updated 4 years ago
- Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility☆40Jul 6, 2021Updated 4 years ago
- ☆15Apr 30, 2025Updated 10 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…☆19Feb 24, 2025Updated last year
- Tree-Invent: A novel molecular generative model constrained with topological tree☆13Jul 26, 2023Updated 2 years ago
- ☆12Jun 11, 2025Updated 9 months ago
- DeeplyTough: Learning Structural Comparison of Protein Binding Sites☆167Apr 7, 2023Updated 2 years ago
- ☆419Apr 18, 2022Updated 3 years ago
- NordVPN Special Discount Offer • AdSave on top-rated NordVPN 1 or 2-year plans with secure browsing, privacy protection, and support for for all major platforms.
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆111Jul 20, 2023Updated 2 years ago
- ☆59Jul 16, 2021Updated 4 years ago
- Hierarchical Generation of Molecular Graphs using Structural Motifs☆427Jun 28, 2022Updated 3 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 Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆46Aug 3, 2021Updated 4 years ago
- Learning retrosynthetic pathway design using simulated experience☆20May 19, 2019Updated 6 years ago