LondonLab / PRosettaCLinks
☆33Updated 3 years ago
Alternatives and similar repositories for PRosettaC
Users that are interested in PRosettaC are comparing it to the libraries listed below
Sorting:
- ☆19Updated 3 years ago
- This is a machine-learning based protein-ligand scoring function.☆51Updated 4 years ago
- ☆37Updated 5 months ago
- Fully automated high-throughput MD pipeline☆67Updated this week
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆46Updated 2 years ago
- ☆50Updated 3 months ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆55Updated last month
- ☆33Updated last year
- Collection of tools to calculate properties of natural or synthetic peptides and proteins.☆41Updated last month
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆61Updated 2 months ago
- Full automation of relative protein-ligand binding free energy calculations in GROMACS☆45Updated 4 years ago
- 3D ligand-based pharmacophore modeling☆50Updated 3 months ago
- ☆27Updated 2 years ago
- A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.☆72Updated last year
- Code to perform scaffold hopping and virtual screening using WHALES descriptors.☆31Updated 4 years ago
- ☆93Updated 6 months ago
- Binding pocket optimization based on force fields and docking scoring functions☆34Updated 5 months ago
- ☆30Updated last year
- Automatic Fragment Linking with Deep Conditional Transformer Neural Networks☆56Updated 3 years ago
- implicit or explicit water model based docking with Autodock vina engine. supporting pharmacophore /position constrained docking☆67Updated 4 months ago
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆43Updated last year
- ☆42Updated 3 years ago
- ☆39Updated last year
- ☆27Updated 2 years ago
- ☆32Updated 2 years ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 10 months ago
- Open Source, Automated free binding free energy calculation between protein and small molecule. An all-in-one workflow, free energy pertu…☆56Updated 4 months ago