Fenglei104 / DeepPROTACsLinks
☆58Updated 2 years ago
Alternatives and similar repositories for DeepPROTACs
Users that are interested in DeepPROTACs are comparing it to the libraries listed below
Sorting:
- ☆82Updated 2 years ago
- ☆33Updated 3 years ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆66Updated 6 months ago
- ☆44Updated 6 months ago
- ☆65Updated 3 years ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆43Updated 2 years ago
- implicit or explicit water model based docking with Autodock vina engine. supporting pharmacophore /position constrained docking☆70Updated 10 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆87Updated 4 months ago
- ☆61Updated 2 weeks ago
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆63Updated 7 months ago
- A universal structure-directed lead optimization☆70Updated last week
- ☆19Updated 2 years ago
- ☆41Updated 10 months ago
- Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta☆85Updated 9 months ago
- Boltzina: Efficient and Accurate Virtual Screening via Docking-Guided Binding Prediction with Boltz-2☆78Updated 2 months ago
- ☆28Updated 2 years ago
- De novo drug design with deep interactome learning☆41Updated 7 months ago
- ☆45Updated 10 months ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆58Updated this week
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆55Updated 2 years ago
- Collection of tools to calculate properties of natural or synthetic peptides and proteins.☆54Updated last month
- ☆75Updated 2 years ago
- my own studied materials and scripts☆59Updated 3 weeks ago
- ☆32Updated last year
- ☆19Updated 3 years ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆35Updated 2 years ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆36Updated last month
- Diffusion model based protein-ligand flexible docking method☆117Updated last year
- A variational autoencoder that directly generates the 3D coordinates of immunoglobulin protein backbones.☆32Updated 3 years ago
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆73Updated 10 months ago