bioinfocqupt / SfcnnLinks
A scoring function model based on 3D convolutional neural network for protein-ligand binding affinity prediction.
☆15Updated 3 years ago
Alternatives and similar repositories for Sfcnn
Users that are interested in Sfcnn are comparing it to the libraries listed below
Sorting:
- Fragment-based Molecular Expansion☆20Updated last year
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆35Updated last month
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 9 months ago
- ☆35Updated last year
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆30Updated 2 years ago
- Folding-Docking-Affinity framework for protein-ligand affinity prediction☆26Updated 3 months ago
- ☆40Updated 3 months ago
- ☆32Updated 2 years ago
- This is a GitHub Repository containing the data and code used for a thorough comparison of 11 ligand binding site prediction tools☆16Updated 7 months ago
- Optimization of binding affinities in chemical space for drug discovery☆35Updated 2 years ago
- ☆25Updated last year
- Open source code for DyScore☆20Updated 2 years ago
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆19Updated last year
- ☆33Updated last year
- Deep generative modeling of protein structural ensembles☆18Updated 3 months ago
- SIU: A Million-Scale Structural Small Molecule-Protein Interaction Dataset for Unbiased Bioactivity Prediction☆9Updated 5 months ago
- ☆20Updated 2 years ago
- Molecular dynamics without molecules: searching the conformational space of proteins with generative neural networks☆11Updated 3 years ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆26Updated 3 months ago
- ☆28Updated this week
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- scripts to find PBD structures for cancer driver proteins☆31Updated 4 months ago
- ☆48Updated 2 months ago
- Binding pocket optimization based on force fields and docking scoring functions