qzlshy / ss_pssm_hhmLinks
Protein secondary structure prediction use PSSM, HHBlits profiles and physio-chemical properties
☆9Updated 6 years ago
Alternatives and similar repositories for ss_pssm_hhm
Users that are interested in ss_pssm_hhm are comparing it to the libraries listed below
Sorting:
- Scripts used for Mulligan et al. (2020): Computationally-designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1☆19Updated 3 years ago
- An MPI based parallel implementation of Autodock Vina☆16Updated 5 years ago
- This workflow includes Quantitative Structure-Activity Relationship (QSAR) models to predict the hERG-related cardiotoxicity of chemicals…☆8Updated 3 years ago
- Python code to automatically interact with PDBePISA web server☆11Updated 3 years ago
- OpenSMOG is a Python library for performing molecular dynamics simulations using Structure-Based Models. OpenSMOG uses OpenMM.☆12Updated last month
- ☆10Updated 6 years ago
- Generates consistent PSSM and/or PDB files for protein-protein complexes☆20Updated 3 years ago
- Python/TF1 implementation of DeepAccNet (https://www.biorxiv.org/content/10.1101/2020.07.17.209643v1)☆10Updated 4 years ago
- ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model☆14Updated 4 years ago
- Kinome-wide structural pocket similarity☆10Updated 2 years ago
- Repository of all EJP lab computational projects☆13Updated 3 weeks ago
- ☆13Updated 7 years ago
- A unified and modular interface to homology modelling software☆11Updated last year
- Sequence-based protein solubility predictor☆11Updated 5 years ago
- Supporting Information for "Prediction of Organic Compound Aqueous Solubility Using Interpretable Machine Learning"☆11Updated 2 years ago
- Sequence-based protein solubility prediction using multidimensional embedding☆12Updated 4 years ago
- Tools to calculate descriptors from molecular dynamics and it's application to predict drug resistance.☆14Updated 2 years ago
- protein docking using a density-based descriptor for atoms charge and dynamics☆14Updated 2 years ago
- Protein-protein binding affinity benchmark☆15Updated 5 months ago
- Optimizing blood-brain barrier permeation through Deep Reinforcement Learning for de novo drug design☆14Updated 4 years ago
- iScore: an MPI supported software for ranking protein-protein docking models based on a random walk graph kernel and support vector machi…☆31Updated 3 years ago
- ☆21Updated 2 years ago
- Supporting Information of Publications☆14Updated 6 years ago
- Molecular inferring project developed by the Discrete Mathematics Lab at Kyoto University.☆9Updated last month
- RDKit code for the JCIM article☆16Updated 11 years ago
- A collection of useful tutorials for Protein Science☆18Updated 10 years ago
- PyMOL Plugin for displaying polar contacts☆17Updated 6 years ago
- to assess structural quality of RNA using 3D CNN☆13Updated 6 years ago
- Gromacs molecular dynamics simulation analysis scripts☆10Updated 3 years ago
- Atomic Charge Calculator II (ACC II) is an application for fast calculation of partial atomic charges.☆14Updated last week