bioinfocqupt / SfcnnLinks
A scoring function model based on 3D convolutional neural network for protein-ligand binding affinity prediction.
☆17Updated 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☆22Updated last year
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 11 months ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆30Updated 2 years ago
- Folding-Docking-Affinity framework for protein-ligand affinity prediction☆27Updated 6 months ago
- ☆46Updated 6 months ago
- Binding pocket optimization based on force fields and docking scoring functions☆34Updated 6 months ago
- ☆51Updated 4 months ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆16Updated 9 months ago
- This is a GitHub Repository containing the data and code used for a thorough comparison of 11 ligand binding site prediction tools☆16Updated 10 months ago
- ☆12Updated 2 years ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆40Updated 3 months ago
- ☆32Updated 2 years ago
- This is the first model that can simultaneously predict the RMSD of the ligand docking pose and the binding strength against the target.☆19Updated 8 months ago
- ☆37Updated last year
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆19Updated 5 months ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- Benchmarking compound activity prediction for real-world drug discovery applications☆14Updated last year
- Comprehensive Benchmark for Protein-Peptide Complex Structure Prediction with AlphaFold3☆12Updated 3 weeks ago
- The BigBind protein-ligand binding dataset (and BayesBind benchmark)☆19Updated 10 months ago
- Cryptic pocket prediction using AlphaFold 2☆24Updated 2 years ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 7 months ago
- A repository of the analysis and simulation tools for biomolecular modeling, simulations and drug discovery☆13Updated 6 months ago
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆20Updated last year
- ☆23Updated 7 months ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Updated 11 months ago
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆29Updated 3 weeks ago
- ☆39Updated 6 months ago
- Molecular dynamics without molecules: searching the conformational space of proteins with generative neural networks☆11Updated 3 years ago
- DMFF-DTA: Dual Modality Feature Fused Neural Network Integrating Binding Site Information for Drug Target Affinity Prediction☆16Updated 7 months ago
- Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"☆18Updated 11 months ago