Cyclic-peptide - protein complexes benchmark and associated scripts and data
☆15Aug 31, 2024Updated last year
Alternatives and similar repositories for cyclic-peptides
Users that are interested in cyclic-peptides are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆30May 10, 2025Updated last year
- Introduction to cyclic peptide simulations and our group's protocols.☆17Sep 21, 2023Updated 2 years ago
- Tool to design cyclic peptides that mimic proteins and target their binding partners.☆17Jul 9, 2024Updated last year
- A docker image containing changes applied to the ETKDG conformer generator workflow, with example scripts.☆12Jun 15, 2019Updated 6 years ago
- ☆19Jan 17, 2025Updated last year
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- This script makes a cyclic peptide or cyclic nucleotide topology file for GROMACS out of (specially prepared) linear molecule topology fi…☆15Nov 24, 2020Updated 5 years ago
- Integrating Deep Neural Networks and Symbolic Inference for Organic Reactivity Prediction☆13Jan 8, 2022Updated 4 years ago
- Repository for PFRED GUI codes☆10Feb 25, 2020Updated 6 years ago
- Tools for coarse-grained molecular dynamics simulations using the SPICA force field☆13May 12, 2026Updated last week
- ☆20Oct 4, 2022Updated 3 years ago
- ☆39Aug 28, 2023Updated 2 years ago
- ☆31Oct 27, 2021Updated 4 years ago
- ☆14Nov 20, 2024Updated last year
- HELM-GPT: de novo macrocyclic peptide design using generative pre-trained transformer☆36May 15, 2026Updated last week
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- The Python software re-glycosylates protein structures using MD simulation results from the glycoshape database. It takes alphafold prote…☆14Feb 16, 2024Updated 2 years ago
- ParametrizANI - Fast, Accurate and Free Dihedral Parametrization in the Cloud with TorchANI☆22Jul 28, 2025Updated 9 months ago
- ☆13Sep 4, 2021Updated 4 years ago
- ☆35Mar 9, 2026Updated 2 months ago
- pains filter using rdktit☆11Mar 17, 2015Updated 11 years ago
- The official implementation of Energy-Inspired Molecular Conformation Optimization (ICLR 2022)☆36Oct 15, 2022Updated 3 years ago
- Score-based 3D molecule generation with neural fields - NeurIPS 2024☆28Dec 3, 2024Updated last year
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆58Mar 23, 2026Updated 2 months ago
- ☆18Dec 31, 2024Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ☆28Mar 21, 2025Updated last year
- Identifying peptide-receptor interactions using AlphaFold-Multimer☆28Sep 12, 2023Updated 2 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
- ProNA2020: System predicting protein-DNA, protein-RNA and protein-protein binding sites from sequence☆14Aug 7, 2020Updated 5 years ago
- A repository for the development of data analysis tools for replica exchange molecular dynamics (REMD) simulations☆14Feb 20, 2023Updated 3 years ago
- Peptide Virtual Screening Pipeline☆14Jul 3, 2019Updated 6 years ago
- Methods of druglikeness prediction☆16Nov 7, 2022Updated 3 years ago
- Making Protein folding accessible to all!☆26Mar 22, 2026Updated 2 months ago
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆27Aug 12, 2021Updated 4 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- An open-source automated peptide synthesizer based on Arduino and Python☆13Dec 19, 2025Updated 5 months ago
- Controlling the usage of hydrophobic residues on AfDesign for binder peptide design with AlphaFold hallucination protocol☆33Aug 10, 2023Updated 2 years ago
- An improved method for predicting toxicity of the peptides and designing of non-toxic peptides☆30May 8, 2026Updated 2 weeks ago
- MolEnc: a molecular encoder using rdkit and OCaml.☆21May 12, 2026Updated last week
- Code for "De novo molecular design with chemical language models"☆13Nov 10, 2021Updated 4 years ago
- Emap2sec is a computational tool to identify protein secondary structures☆16Jul 31, 2024Updated last year
- Official implementation of SketchMol.☆33Feb 14, 2025Updated last year