LondonLab / PRosettaCLinks
☆32Updated 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
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- This is a machine-learning based protein-ligand scoring function.☆52Updated 5 years ago
- ☆40Updated 7 months ago
- 3D ligand-based pharmacophore modeling☆50Updated 5 months ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆47Updated 2 years ago
- ☆33Updated last year
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated last year
- Full automation of relative protein-ligand binding free energy calculations in GROMACS☆45Updated 4 years ago
- Code used in paper for G-loop mining.☆18Updated 8 months ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆61Updated 3 months ago
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆22Updated last year
- ☆30Updated last year
- Binding pocket optimization based on force fields and docking scoring functions☆34Updated 7 months ago
- Fully automated high-throughput MD pipeline☆80Updated last month
- DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…☆28Updated 3 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆42Updated 4 months ago
- ☆27Updated 2 years ago
- Open Source, Automated free binding free energy calculation between protein and small molecule. An all-in-one workflow, free energy pertu…☆59Updated 6 months ago
- ☆58Updated 2 years ago
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆44Updated last year
- De novo drug design with deep interactome learning☆39Updated 4 months ago
- ☆51Updated 5 months ago
- ☆28Updated 2 years ago
- Code to perform scaffold hopping and virtual screening using WHALES descriptors.☆32Updated 4 years ago
- ☆37Updated 3 years ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆63Updated 4 months ago
- ☆42Updated 3 years ago
- Collection of tools to calculate properties of natural or synthetic peptides and proteins.☆41Updated 2 weeks ago