filipsPL / annapurnaLinks
AnnapuRNA: a scoring function for predicting RNA-small molecule interactions.
☆19Updated last year
Alternatives and similar repositories for annapurna
Users that are interested in annapurna are comparing it to the libraries listed below
Sorting:
- ABC of chemoinformatics☆18Updated 6 years ago
- Protein-Protein Docking using Genetic Algorithm☆17Updated last year
- Pytorch implementation of Pocket2Drug: a generative deep learning model to predict binding drugs for ligand-binding sites.☆22Updated 3 years ago
- Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".☆18Updated 2 years ago
- Houses deployable code for the SCORCH scoring function and docking pipeline from the related publication: https://doi.org/10.1016/j.jare.…☆17Updated 2 years ago
- MEGADOCK on Google Colaboratory☆17Updated last year
- ☆30Updated 2 months ago
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆33Updated last year
- Protein design and variant prediction using autoregressive generative models☆23Updated 2 years ago
- ☆13Updated 3 years ago
- GNN enabled surrogate modeling for chemical docking☆14Updated 2 years ago
- Python interface for the RCSB search API.☆20Updated last year
- Interface-aware molecular generative framework for protein-protein interaction modulators☆15Updated 6 months ago
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆28Updated 4 years ago
- A package for MD, Docking and Machine learning drug discovery pipeline☆44Updated 4 years ago
- A unified and modular interface to homology modelling software☆11Updated last year
- Collection of scripts that integrates docking, virtual screening, similarity and molecular modeling programs.☆26Updated last week
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆26Updated 2 years ago
- PCA and normal mode analysis of proteins☆17Updated last year
- Subpocket-based fingerprint for kinase pocket comparison☆34Updated last year
- KDS software for Kinase Drug Selectivity☆11Updated 2 years ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated last month
- ESM-driven Pocket Cross Similarity☆12Updated 3 months ago
- ☆33Updated last year
- Prediction of Protein-Small molecule binding affinities☆17Updated 9 months ago
- ATTRACT program suite for macromolecular docking (protein-protein, protein-nucleic acid, protein-peptide)☆18Updated last year
- Analysis and design of protein-protein or protein-peptide interactions based on atlas database.☆15Updated 2 years ago
- ☆14Updated 3 years ago
- development repository for PyInteraph2☆22Updated 3 months ago
- Pytorch implementation of BionoiNet, which is a deep learning-based software to classify ligand-binding sites.☆20Updated 4 years ago