kimeguida / POEMLinks
Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition
☆14Updated 2 years ago
Alternatives and similar repositories for POEM
Users that are interested in POEM are comparing it to the libraries listed below
Sorting:
- ☆20Updated 2 years ago
- COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses☆18Updated last year
- Integrative modeling of PROTAC-mediated ternary complex☆27Updated 3 years ago
- ☆33Updated last year
- ☆26Updated 5 years ago
- This is a GitHub Repository containing the data and code used for a thorough comparison of 11 ligand binding site prediction tools☆16Updated 7 months ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆30Updated 2 years ago
- Optimization of binding affinities in chemical space for drug discovery☆35Updated 2 years ago
- ☆26Updated 2 years ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- ☆12Updated 3 years ago
- Benchmarking compound activity prediction for real-world drug discovery applications☆13Updated last year
- ☆51Updated 2 years ago
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆29Updated last month
- ☆32Updated 2 weeks ago
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆23Updated 3 years ago
- 3D ligand-based pharmacophore modeling☆49Updated 2 months ago
- Open-source online virtual screening tools for large databases☆27Updated last year
- A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.☆69Updated last year
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆35Updated last month
- ☆28Updated 2 years ago
- ☆48Updated 2 months ago
- ☆33Updated last year
- ☆36Updated 3 months ago
- Comprehensive cardiotoxicity prediction tool of small molecules on three targets: hERG, Nav1.5, Cav1.2☆19Updated 9 months ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆17Updated last month
- ☆56Updated last year
- MD pharmacophores and virtual screening☆33Updated last year
- ☆27Updated 6 months ago
- Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…☆18Updated 2 years ago