☆20Nov 1, 2022Updated 3 years ago
Alternatives and similar repositories for MGNN
Users that are interested in MGNN are comparing it to the libraries listed below
Sorting:
- ☆13Nov 29, 2024Updated last year
- Coming Soon...☆10Mar 14, 2022Updated 3 years ago
- ☆12Apr 14, 2022Updated 3 years ago
- ☆13Jul 7, 2024Updated last year
- ☆14Oct 16, 2022Updated 3 years ago
- Input files and binding free energy values from our benchmark with QuantumBind-RBFE☆16Apr 16, 2025Updated 10 months ago
- ☆17Jan 10, 2024Updated 2 years ago
- ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)☆20Feb 10, 2023Updated 3 years ago
- MGA☆44Jan 15, 2021Updated 5 years ago
- GPCNDTA: prediction of drug-target binding affinity through cross-attention networks augmented with graph features and pharmacophores☆17Jan 19, 2025Updated last year
- Probabilistic Multi-Parameter Optimization (pMPO)☆17Apr 7, 2017Updated 8 years ago
- ☆27Jul 3, 2024Updated last year
- ☆22Sep 24, 2022Updated 3 years ago
- SMARTS sanitization☆32Updated this week
- ☆29May 5, 2025Updated 10 months ago
- ☆17Jun 21, 2025Updated 8 months ago
- ☆28Aug 20, 2022Updated 3 years ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆13Jul 26, 2023Updated 2 years ago
- ☆40Jul 8, 2023Updated 2 years ago
- ☆41Nov 10, 2020Updated 5 years ago
- AAAI 2020: Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-like Molecules☆36Mar 28, 2022Updated 3 years ago
- Bayesian inference of conformational populations☆13Jun 11, 2025Updated 8 months ago
- Automatically exported from code.google.com/p/pyplif☆10Nov 23, 2018Updated 7 years ago
- ☆16Dec 2, 2025Updated 3 months ago
- This repository gathers the NNAIMGUI code along with some instructions and readme files.☆11Mar 22, 2024Updated last year
- ☆11Sep 24, 2024Updated last year
- A novel method that quantitatively evaluates the impact of PLM in PLI predictions.☆12Sep 14, 2023Updated 2 years ago
- ☆10Apr 22, 2019Updated 6 years ago
- Public version for DistPepFold☆10Jul 17, 2025Updated 7 months ago
- Discriminator for Model Docking☆11Dec 20, 2024Updated last year
- Streamlit web application to deploy a machine learning binary classifier to predict the activity of antimicrobial peptides☆10Dec 13, 2022Updated 3 years ago
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆35Oct 21, 2022Updated 3 years ago
- HyperAttentionDTI: improving drug–protein interaction prediction by sequence-based deep learning with attention mechanism. This repositor…☆45Jun 9, 2021Updated 4 years ago
- We would like to maintain a list of resources which aim to solve molecular docking and other closely related tasks.☆106Feb 23, 2023Updated 3 years ago
- ☆10Nov 17, 2020Updated 5 years ago
- ☆14Mar 7, 2024Updated 2 years ago
- I redo the ScRNA analysis in the paper of Wang et al 2020, Nat Comm. Here's my modified script for Helen He Zhu github (https://github.co…☆12Aug 28, 2021Updated 4 years ago
- [WWW 25] USPTO-LLM: A Large Language Model-Assisted Information-enriched Chemical Reaction Dataset☆16Dec 12, 2024Updated last year
- Config files for my GitHub profile.☆12Apr 2, 2025Updated 11 months ago