prokia / BioNavi-NPLinks
Biosynthesis Navigator for Natural Products
☆45Updated 2 years ago
Alternatives and similar repositories for BioNavi-NP
Users that are interested in BioNavi-NP are comparing it to the libraries listed below
Sorting:
- ☆9Updated 8 months ago
- Diffusion model based protein-ligand flexible docking method☆105Updated 7 months ago
- Enzyme datasets used to benchmark enzyme-substrate promiscuity models☆35Updated 3 years ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- Bioinformatics and Cheminformatics protocols for peptide analysis☆41Updated 2 years ago
- ☆33Updated 6 months ago
- ☆38Updated 4 years ago
- Python package to atom map, correct and suggest enzymatic reactions☆38Updated last year
- Graph variational encoders for drug engineering and potentiation☆29Updated 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, …☆59Updated 7 months ago
- ☆74Updated last year
- Reaction SMILES-AA mapping via language modelling☆29Updated 8 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆54Updated last month
- ☆14Updated 6 months ago
- Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term☆27Updated 6 months ago
- a deep learning architecture for protein-ligand binding affinity prediction☆74Updated last year
- RXN for biochemical reactions☆68Updated 2 years ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆53Updated last year
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆71Updated 9 months ago
- ☆62Updated 2 years ago
- ☆32Updated last year
- ☆72Updated 8 months ago
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆22Updated 3 weeks ago
- Active Learning-Assisted Directed Evolution for Protein Engineering☆57Updated 6 months ago
- ☆33Updated last year
- Reinforcement Learning based bioretrosynthesis tool☆50Updated 2 months ago
- Enzyme Activity Prediction of Sequence Variants onNovel Substrates using Improved Substrate Encodings and Convolutional Pooling☆18Updated 2 years ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆44Updated 4 months ago
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆42Updated 2 years ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆33Updated last year