Introduction to cyclic peptide simulations and our group's protocols.
☆17Sep 21, 2023Updated 2 years ago
Alternatives and similar repositories for CP_tutorial
Users that are interested in CP_tutorial 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☆35May 10, 2025Updated last year
- Cyclic-peptide - protein complexes benchmark and associated scripts and data☆16Aug 31, 2024Updated 2 years ago
- CREMP: Conformer-Rotamer Ensembles of Macrocyclic Peptides for Machine Learning☆31Aug 13, 2024Updated 2 years ago
- ☆24Apr 10, 2025Updated last year
- Conformer-Rotamer Ensemble Sampling Tool based on the xtb Semiempirical Extended Tight-Binding Program Package☆38Jun 16, 2026Updated 3 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.
- De novo design of small molecule binding sites into proteins☆11Apr 14, 2021Updated 5 years ago
- 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
- Tool to design cyclic peptides that mimic proteins and target their binding partners.☆18Jul 9, 2024Updated 2 years ago
- Solvent accessible surface area calculation☆21Mar 12, 2025Updated last year
- ☆20Aug 31, 2026Updated 2 weeks ago
- ☆31Mar 21, 2025Updated last year
- ☆10Mar 8, 2024Updated 2 years ago
- Rank binders by structure modeling☆17Apr 10, 2026Updated 5 months ago
- Making Protein folding accessible to all!☆26Mar 22, 2026Updated 5 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Implementation of AGDIFF: Attention-Enhanced Diffusion for Molecular Geometry Prediction☆21Jun 19, 2025Updated last year
- ☆91Jan 23, 2026Updated 7 months ago
- A simple Python library to generate model peptides☆104Nov 29, 2020Updated 5 years ago
- Code for GP-MoLFormer + pair-tuning☆19Sep 18, 2025Updated last year
- Rowan Python SDK☆22Updated this week
- ☆22Jan 23, 2026Updated 7 months ago
- ☆47Apr 30, 2024Updated 2 years ago
- Repository for 9th I-CoMSE virtual workshop for machine learning for molecules☆15May 3, 2025Updated last year
- ☆34Aug 6, 2026Updated last month
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- This is the repository of code and data for paper "Machine learning-enabled chemical space exploration of all-inorganic perovskites for p…☆12Sep 23, 2024Updated last year
- This package will help you perform a multiple minumum Monte Carlo conformer search as described in Chang et al., 1989. It is built to be …☆37Apr 23, 2026Updated 4 months ago
- ☆14Mar 7, 2024Updated 2 years ago
- PepFun 2.0: improved protocols for the analysis of natural and modified peptides☆30Jul 7, 2023Updated 3 years ago
- ☆64Sep 14, 2023Updated 3 years ago
- Discriminator for Model Docking☆11Dec 20, 2024Updated last year
- TFold v1.0☆37Jul 16, 2024Updated 2 years ago
- 누구나 쉽게 SQL☆11Jun 3, 2019Updated 7 years ago
- ☆14Oct 16, 2022Updated 3 years ago
- 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.
- DeepTM: A deep learning setup for prediction of transmembrane proteins☆19Jan 2, 2018Updated 8 years ago
- SAPT energy calculator built using MDAnalysis and Psi4☆16May 26, 2025Updated last year
- AMPDeep: Hemolytic Activity Prediction of Antimicrobial Peptides using Transfer Learning☆13Aug 15, 2022Updated 4 years ago
- ☆52Sep 24, 2025Updated 11 months ago
- Python client for TeraChem Cloud☆13Jul 16, 2026Updated 2 months ago
- ☆19Apr 4, 2026Updated 5 months ago
- ☆11Aug 5, 2020Updated 6 years ago