Extract ligands from original PDB file
☆10Nov 1, 2019Updated 6 years ago
Alternatives and similar repositories for LIG_Tool
Users that are interested in LIG_Tool are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Predict the boundary of transcript start and end from RNA-seq reads alignment☆11Feb 13, 2017Updated 9 years ago
- Extract structural features from original PDB file☆25Jul 14, 2020Updated 5 years ago
- a deep learning framework for essential protein prediction☆13Mar 24, 2023Updated 3 years ago
- Mol* Volumes and Segmentations Extension☆12Mar 16, 2025Updated last year
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆19Jun 10, 2023Updated 2 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Detect and characterize binding pockets from molecular simulations.☆17Mar 17, 2026Updated 2 months ago
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆46Apr 22, 2023Updated 3 years ago
- Ligand binding site prediction and virtual screening☆12Oct 26, 2018Updated 7 years ago
- A script able to extract ligands from pdb structure(s) and remove them from the original structure. The ligands are identified according …☆15Jul 13, 2022Updated 3 years ago
- PointSite: a point cloud segmentation tool for identification of protein ligand binding atoms☆58Mar 9, 2023Updated 3 years ago
- ☆22Oct 11, 2021Updated 4 years ago
- Training Conditional Random Fields (CRF) by Maximizing Area Under the ROC Curve (AUC)☆12Apr 12, 2019Updated 7 years ago
- Linear-chain LSTM-CRFs and Convolutional CRFs in PyTorch.☆22Aug 11, 2017Updated 8 years ago
- Library for prediction of cryptic binding sites☆25Aug 6, 2025Updated 10 months ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Official Pytorch implementation of Chromatic Graph Transformers☆10Jun 14, 2023Updated 2 years ago
- ☆30Aug 24, 2023Updated 2 years ago
- Everything to do with the Mur Ligase Project☆29Mar 10, 2025Updated last year
- Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention☆61Mar 3, 2026Updated 3 months ago
- Predicting protein-ligand binding sites using deep convolutional neural network☆52Sep 23, 2024Updated last year
- Automatically exported from code.google.com/p/pyplif☆10Nov 23, 2018Updated 7 years ago
- ☆13Apr 3, 2024Updated 2 years ago
- Datasets for P2Rank project. https://github.com/rdk/p2rank☆30Nov 8, 2024Updated last year
- Machine Learning and Neural Networks☆29May 22, 2023Updated 3 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- DeepAlign: the protein structure analysis toolkit☆41Jan 2, 2020Updated 6 years ago
- Program to create tautomers and ionisation states relevant to physiological pH.☆10May 8, 2017Updated 9 years ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆30Dec 30, 2022Updated 3 years ago
- ☆11Mar 24, 2023Updated 3 years ago
- a deep learning based drug target interaction prediction model☆11Nov 5, 2022Updated 3 years ago
- MolKGNN is a deep learning model for predicting biological activity or molecular properties. It features in 1. SE(3)-invariance 2. confor…☆20Jun 28, 2023Updated 2 years ago
- Generate A3M and TGT file from a given sequence in FASTA format.☆11Nov 16, 2020Updated 5 years ago
- Beyond Myopia: Learning from Positive and Unlabeled Data through Holistic Predictive Trends [NeurIPS 2023]☆10Jan 28, 2024Updated 2 years ago
- RaptorX-Property: a Standalone Package for Protein Structure Property Prediction☆19May 6, 2019Updated 7 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Predict protein local properties using sequence or profile information.☆23Nov 16, 2020Updated 5 years ago
- Official PyTorch implementation of "ProteinMAE: Masked Autoencoder for Protein Surface Self-supervised Learning".☆18May 7, 2024Updated 2 years ago
- This is the Github repository containing the code for the Context-Aware Sequential Recommendation project for the Information Retrieval 2…☆11Mar 24, 2023Updated 3 years ago
- Official implementation of our paper "Separate the Wheat from the Chaff: Model Deficiency Unlearning via Parameter-Efficient Module Opera…☆11Sep 20, 2024Updated last year
- Continuous Wavelet Dynamic Time Warping for unbalanced global mapping of two signals☆20Jan 14, 2019Updated 7 years ago
- PyTorch implementations of protein secondary structure prediction on CB513.☆17Dec 30, 2018Updated 7 years ago
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆32May 16, 2024Updated 2 years ago