stonewiseAIDrugDesign / Lingo3DMolLinks
☆57Updated last year
Alternatives and similar repositories for Lingo3DMol
Users that are interested in Lingo3DMol are comparing it to the libraries listed below
Sorting:
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 8 months ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆22Updated last month
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆48Updated 2 weeks ago
- ☆17Updated 2 years ago
- ☆26Updated last year
- ☆32Updated 2 years ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆53Updated last year
- ☆60Updated last year
- ☆36Updated 3 months ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆34Updated last year
- ☆24Updated 8 months ago
- Graph variational encoders for drug engineering and potentiation☆29Updated last year
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- Tool to design cyclic peptides that mimic proteins and target their binding partners.☆14Updated 11 months ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆44Updated 2 years ago
- ☆35Updated last year
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆25Updated 3 months ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- my own studied materials and scripts☆50Updated 2 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆34Updated 2 weeks ago
- ☆28Updated 2 years ago
- ☆43Updated last year
- ☆25Updated 11 months ago
- Official implementation for paper: A foundation model for protein-ligand affinity prediction through Jointly optimizing virtual screening…☆19Updated 3 weeks ago
- ☆11Updated last year
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆68Updated 2 weeks ago
- ☆21Updated 3 years ago
- ☆37Updated 3 months ago
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆19Updated last year