rdk / p2rank-datasetsLinks
Datasets for P2Rank project. https://github.com/rdk/p2rank
☆23Updated 9 months ago
Alternatives and similar repositories for p2rank-datasets
Users that are interested in p2rank-datasets are comparing it to the libraries listed below
Sorting:
- Fast and accurate molecular docking with an AI pose scoring function☆41Updated last year
- ☆38Updated 4 years ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 3 months ago
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆27Updated last week
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆44Updated 2 years ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆30Updated 2 years ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- De novo design of small molecule binding sites into proteins☆12Updated 4 years ago
- dMaSIF implementation for google colab☆32Updated 2 years ago
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆30Updated last year
- Scores for Hydrophobicity and Charges based on SASAs☆36Updated 2 months ago
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆39Updated last year
- Repo contains source code of the SurfaceID paper☆24Updated last year
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆51Updated 3 months ago
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆30Updated 3 weeks ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆34Updated last month
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆69Updated 5 months ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆46Updated 7 months ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Updated 10 months ago
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆66Updated 5 months ago
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated last year
- Predicting protein-ligand binding sites using deep convolutional neural network☆50Updated 11 months ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆57Updated 2 weeks ago
- Structure prediction and design of proteins with noncanonical amino acids☆88Updated 3 weeks ago
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆33Updated last year
- ☆50Updated last month
- Modelling protein conformational landscape with Alphafold☆51Updated last month
- This is a GitHub Repository containing the data and code used for a thorough comparison of 11 ligand binding site prediction tools☆16Updated 9 months ago
- HELM-GPT: de novo macrocyclic peptide design using generative pre-trained transformer☆26Updated last year
- Subpocket-based fingerprint for kinase pocket comparison☆34Updated last year