DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.
☆14Oct 22, 2023Updated 2 years ago
Alternatives and similar repositories for DeepCoSI
Users that are interested in DeepCoSI are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆15Dec 4, 2023Updated 2 years ago
- ☆12Oct 9, 2024Updated last year
- ☆41Jul 7, 2024Updated last year
- ☆26Oct 31, 2022Updated 3 years ago
- ☆12Apr 4, 2025Updated 11 months ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- ☆16Jan 5, 2021Updated 5 years ago
- ML-guided visual inspection for molecular docking☆21Jun 3, 2025Updated 9 months ago
- ☆22Apr 20, 2025Updated 11 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
- ☆63Sep 18, 2025Updated 6 months ago
- Pharmacophore Elucidation with Convolutional Neural Networks and Reinforcement Learning☆17Apr 7, 2025Updated 11 months ago
- De Novo Drug Design by Iterative Multi-Objective Deep Reinforcement Learning with graph-based Molecular Quality Assessment☆14Mar 20, 2023Updated 3 years ago
- KDS software for Kinase Drug Selectivity☆11Jun 8, 2023Updated 2 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Mar 3, 2023Updated 3 years ago
- ☆42Mar 26, 2025Updated last year
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆45Jun 26, 2024Updated last year
- Model to predict kinase-ligand pKi values.☆12Jul 6, 2023Updated 2 years ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆56Oct 17, 2025Updated 5 months ago
- Integrative modeling of PROTAC-mediated ternary complex☆29May 4, 2022Updated 3 years ago
- ☆56May 9, 2025Updated 10 months ago
- ☆25Dec 6, 2025Updated 3 months ago
- ☆14May 15, 2024Updated last year
- 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.
- MEGADOCK on Google Colaboratory☆20Oct 2, 2023Updated 2 years ago
- a method for CPI and DTA prediction☆11Jun 18, 2022Updated 3 years ago
- Hierarchical template correction for chemical reactions☆20Aug 9, 2024Updated last year
- ☆12Jul 5, 2024Updated last year
- Implementation of the Paper "iScore: A ML-Based Scoring Function for de novo Drug Discovery" by S.J. Mahdizadeh, and L.A. Eriksson (https…☆17Jun 14, 2024Updated last year
- Efficient Sampling of PROTAC-Induced Ternary Complexes☆12Jun 3, 2025Updated 9 months ago
- ☆30Mar 10, 2026Updated 2 weeks ago
- Comparison of active site and full kinase sequences for drug-target affinity prediction and molecular generation. Full paper: https://pub…☆37Oct 3, 2022Updated 3 years ago
- ☆16Dec 2, 2025Updated 3 months 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.
- PaiNN in jax☆11Jan 14, 2025Updated last year
- Augmenting a training dataset of the generative diffusion model for molecular docking with artificial binding pockets☆10Aug 5, 2025Updated 7 months ago
- ☆20Apr 12, 2024Updated last year
- ☆31Feb 22, 2022Updated 4 years ago
- ☆13Jul 7, 2024Updated last year
- ☆12Jun 14, 2022Updated 3 years ago
- Use AutoDock for Ligand-based Virtual Screening☆22Aug 18, 2024Updated last year