fimrie / DeepCoyLinks
☆28Updated last year
Alternatives and similar repositories for DeepCoy
Users that are interested in DeepCoy are comparing it to the libraries listed below
Sorting:
- Code to perform scaffold hopping and virtual screening using WHALES descriptors.☆31Updated 4 years ago
- ☆18Updated 2 years ago
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆46Updated last month
- 3D ligand-based pharmacophore modeling☆49Updated last month
- ☆75Updated last year
- ☆48Updated last month
- ☆91Updated 4 months ago
- RF-Score-VS binary☆31Updated 6 years ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated last year
- Kinase-focused fragment library☆65Updated this week
- Integrative modeling of PROTAC-mediated ternary complex☆27Updated 3 years ago
- ☆17Updated 2 years ago
- Code and datasets from the manuscript "Comparing IC50 or Ki values from different sources is a source of significant noise".☆39Updated last year
- An open library to work with pharmacophores.☆45Updated last year
- Computational Chemistry Workflows☆53Updated 2 years ago
- Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics☆19Updated last year
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆48Updated last week
- Python package to facilitate the use of popular docking software☆16Updated 2 years ago
- DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…☆25Updated last year
- ☆26Updated 2 years ago
- ☆37Updated 3 months ago
- ☆30Updated 3 years ago
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆23Updated 3 years ago
- ☆57Updated 2 years ago
- A knowledge-based method for determining small molecule binding "hotspots".☆37Updated last year
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆39Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆44Updated 2 years ago
- Open-source tool for synthons-based library design.☆79Updated 5 months ago
- Retrosynthetic prediction with Atom Environments☆37Updated 2 years ago
- ☆33Updated last year