jiaxianyan / BioMiner
BioMiner: A Multi-modal System for Automated Mining of Protein-Ligand Bioactivity Data from Literature
☆28Updated last week
Alternatives and similar repositories for BioMiner:
Users that are interested in BioMiner are comparing it to the libraries listed below
- Official implementation for paper: A foundation model for protein-ligand affinity prediction through Jointly optimizing virtual screening…☆17Updated 2 months ago
- ☆33Updated last month
- ☆25Updated 10 months ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆24Updated last month
- ☆24Updated 6 months ago
- ☆32Updated 5 months ago
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- ☆32Updated 2 years ago
- ☆28Updated 2 years ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 6 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆33Updated last week
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆44Updated last year
- a multi-property optimization method.☆32Updated 4 months ago
- ☆27Updated last year
- ☆37Updated last year
- scripts to find PBD structures for cancer driver proteins☆31Updated 2 months ago
- ☆22Updated 4 months ago
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆21Updated last week
- DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…☆24Updated last year
- ☆13Updated last month
- Folding-Docking-Affinity framework for protein-ligand affinity prediction☆25Updated last month
- This is the first model that can simultaneously predict the RMSD of the ligand docking pose and the binding strength against the target.☆18Updated 4 months ago
- ☆10Updated 6 months ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆33Updated last year
- ☆16Updated 2 years ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year
- ☆54Updated last year
- A toolkit developed to predict and analyze PROTAC-mediated protein degradation complexes using AlphaFold3.☆19Updated last week
- Code of “Multi-Modal Deep Learning Enables Ultrafast and Accurate Annotation of Enzymatic Active Sites”☆32Updated 2 months ago
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆37Updated last week