☆19Jan 17, 2025Updated last year
Alternatives and similar repositories for cyclops
Users that are interested in cyclops are comparing it to the libraries listed below
Sorting:
- ☆28Oct 27, 2021Updated 4 years ago
- Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties☆30Dec 3, 2025Updated 3 months ago
- Cyclic-peptide - protein complexes benchmark and associated scripts and data☆15Aug 31, 2024Updated last year
- ☆10Dec 4, 2021Updated 4 years ago
- Tool to design cyclic peptides that mimic proteins and target their binding partners.☆17Jul 9, 2024Updated last year
- ☆28Mar 21, 2025Updated last year
- A Python script for rendering cube files generated by Psi4☆19Mar 30, 2025Updated 11 months ago
- Deep learning based prediction of pi-helices in protein sequences☆11Mar 24, 2023Updated 2 years ago
- Add CMAP parameters into common AMBER prmtop file☆14Sep 12, 2021Updated 4 years ago
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆19Mar 2, 2026Updated 2 weeks ago
- Code to accompany "Practical Cheminformatics With Open Source Software"☆16Feb 24, 2022Updated 4 years ago
- Funnel maker is a set of scripts that sets up funnel metadynamics simulations for protein-ligand binding with PLUMED and OpenMM.☆15Jan 3, 2026Updated 2 months ago
- A deep learning model to predict anticancer peptides.☆24Jul 10, 2019Updated 6 years ago
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆28May 10, 2025Updated 10 months ago
- ParametrizANI - Fast, Accurate and Free Dihedral Parametrization in the Cloud with TorchANI☆22Jul 28, 2025Updated 7 months ago
- Tools for creating, analyzing and visualizing Conformation Space Networks☆17Aug 31, 2022Updated 3 years ago
- We propose PepBCL, a novel BERT (Bidirectional Encoder Representation from Transformers)-based Contrastive Learning framework to predict …☆16Mar 29, 2023Updated 2 years ago
- Energy minimization post-processing used in PoseBusters☆14Apr 4, 2025Updated 11 months ago
- ☆22Mar 2, 2026Updated 2 weeks ago
- ☆15Jan 16, 2024Updated 2 years ago
- ☆16Apr 11, 2025Updated 11 months ago
- Container-based installation of pymol, with interaction through the browser via Jupyter notebook☆20May 22, 2019Updated 6 years ago
- ☆21Mar 14, 2023Updated 3 years ago
- Deep Learning Library for R☆12May 6, 2018Updated 7 years ago
- ☆10Feb 18, 2020Updated 6 years ago
- AlphaFlow Reinforcement Learning☆10Apr 13, 2023Updated 2 years ago
- Open-source protein-based pharmacophore modeling software☆37Feb 15, 2025Updated last year
- Bioinformatics and Cheminformatics protocols for peptide analysis☆45Dec 22, 2022Updated 3 years ago
- Anti-Cancer Peptide Prediction with Deep Representation Learning Features☆11Jan 27, 2021Updated 5 years ago
- ChemCharts is a module that allows you to plot chemical space in various figure types☆16Sep 24, 2023Updated 2 years ago
- Long short-term memory recurrent neural networks for learning peptide and protein sequences to later design new, similar examples.☆77Mar 25, 2023Updated 2 years ago
- A toolkit developed to predict and analyze PROTAC-mediated ternary complexes using AlphaFold3 and Boltz-1.☆41Jul 17, 2025Updated 8 months ago
- fragbuilder is a tool to create, setup and analyze QM calculations on peptides.☆15Oct 31, 2014Updated 11 years ago
- FragIt main repository☆26Mar 6, 2026Updated 2 weeks ago
- ☆10Dec 20, 2023Updated 2 years ago
- An engine for electrostatic ML embedding for multiscale modelling.☆27Mar 11, 2026Updated last week
- Benchmark and reference set for conformational energies in peptides☆12Oct 10, 2018Updated 7 years ago
- VDJ assignment and antibody sequence annotation. Scalable from a single sequence to billions of sequences.☆44Feb 22, 2026Updated 3 weeks ago
- Source code accompanying the 'Transfer learning with graph neural networks for improved molecular property prediction in the multi-fideli…☆35Jun 28, 2025Updated 8 months ago