Fast, state-of-the-art ab initio prediction of protein secondary structure in 3 and 8 classes
☆47May 21, 2020Updated 5 years ago
Alternatives and similar repositories for Porter5
Users that are interested in Porter5 are comparing it to the libraries listed below
Sorting:
- pains filter using rdktit☆10Mar 17, 2015Updated 10 years ago
- ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model☆15Nov 8, 2020Updated 5 years ago
- Implementation of High Quality Protein Q8 Secondary Structure Prediction by Diverse Neural Network Architectures☆22May 9, 2019Updated 6 years ago
- EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity☆14Dec 7, 2021Updated 4 years ago
- World’s first Protein sequence Generative Adversarial Network (ProteinGAN)☆15Dec 20, 2018Updated 7 years ago
- AstraZeneca add-ons to Orange.☆23Jun 15, 2020Updated 5 years ago
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Mar 3, 2023Updated 2 years ago
- Code for "De novo molecular design with chemical language models"☆13Nov 10, 2021Updated 4 years ago
- MolEnc: a molecular encoder using rdkit and OCaml.☆20Jan 27, 2026Updated last month
- Python package for peptide sequence generation, peptide descriptor calculation and sequence analysis.☆60Feb 2, 2026Updated 3 weeks ago
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆19Jun 10, 2023Updated 2 years ago
- Secondary Protein Structure Prediction using Neural Networks and Deep Learning .☆10Jul 17, 2022Updated 3 years ago
- A program for the conformational search in flexible acyclic molecules☆10Jul 12, 2022Updated 3 years ago
- Protein-Ligand Interaction Fingerprints☆21Dec 23, 2020Updated 5 years ago
- ☆10Nov 10, 2023Updated 2 years ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆12Mar 29, 2021Updated 4 years ago
- Another Molecular String Representation☆10Feb 14, 2026Updated 2 weeks ago
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 2 years ago
- EPSAPG: An Extensive Protein Sequence Alignment Profiles Generator Pipeline Combining MMseqs2 and PSI-BLAST☆11Apr 4, 2024Updated last year
- A library for writing chemical and biological data management systems☆10Oct 24, 2019Updated 6 years ago
- A repository for the development of data analysis tools for replica exchange molecular dynamics (REMD) simulations☆13Feb 20, 2023Updated 3 years ago
- mirror of https://zhanglab.ccmb.med.umich.edu/EDTSurf/☆10Jun 20, 2023Updated 2 years ago
- ☆13Aug 5, 2025Updated 6 months ago
- A python tool for numerically encoding protein sequences based on PSSM profile☆13Jun 25, 2021Updated 4 years ago
- Kinome-wide structural pocket similarity☆10Dec 26, 2022Updated 3 years ago
- Yasara Plugin for QM calculations☆14May 9, 2024Updated last year
- Target prediction☆13May 8, 2020Updated 5 years ago
- ☆15Jul 14, 2025Updated 7 months ago
- ChemoPy: freely available python package for computational biology and chemoinformatics.☆13May 30, 2021Updated 4 years ago
- repDNA is a Python package to generate various features of DNA sequences incorporating physicochemical properties and sequence-order effe…☆13Jul 16, 2022Updated 3 years ago
- ICMR Sponsored Seminar On Deep Learning Techniques and Tools for Medical Applications☆14Jul 30, 2020Updated 5 years ago
- Command line tool providing BOSS generated OPLS-AA/CM1A(-LBCC) parameters for organic molecules and ligands.☆11Oct 5, 2017Updated 8 years ago
- An OpenSMILES compliant C++ SMILES/SMARTS parser☆15Jul 19, 2015Updated 10 years ago
- ☆14May 9, 2018Updated 7 years ago
- Optimizing blood-brain barrier permeation through Deep Reinforcement Learning for de novo drug design☆14Apr 22, 2021Updated 4 years ago
- ☆13Jul 13, 2019Updated 6 years ago
- Integrating Deep Neural Networks and Symbolic Inference for Organic Reactivity Prediction☆13Jan 8, 2022Updated 4 years ago
- Physico-chemical and biological property prediction for small molecules☆13May 3, 2022Updated 3 years ago
- ☆13Sep 4, 2021Updated 4 years ago