Peptide <-> SMILES utilities for monomer peptides with non-canonical residues, terminal modifications, and selected cyclizations.
☆19Sep 11, 2026Updated this week
Alternatives and similar repositories for PepLink
Users that are interested in PepLink are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- TPepPro: a deep learning model for predicting peptide-protein interactions☆15Jun 25, 2024Updated 2 years ago
- ML-based ligand generator☆23May 8, 2026Updated 4 months ago
- ☆51Sep 24, 2025Updated 11 months ago
- Protein-peptide docking with ESMFold language model☆16May 30, 2026Updated 3 months ago
- ☆33Aug 6, 2026Updated last month
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- This is a mirror repository of gpu4pyscf. Please refer to https://github.com/pyscf/gpu4pyscf for the latest development.☆18Updated this week
- Guide Your Design and Engineering☆35Updated this week
- Virtual Medicinal Chemist, SAR reasoning☆37Jun 9, 2026Updated 3 months ago
- ☆47Apr 30, 2024Updated 2 years ago
- ☆24Aug 18, 2025Updated last year
- Enzyme kinetics data extraction pipeline☆17Updated this week
- Predicts small molecule - protein interaction affinities using convolutional representations of distance-dependent interactions with atte…☆19Sep 22, 2025Updated 11 months ago
- Bayesian Optimization for protein design and mining☆28Jul 2, 2026Updated 2 months ago
- ☆25Jun 10, 2026Updated 3 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆65Mar 23, 2026Updated 5 months ago
- Source code and examples for AlphaFold Unmasked☆79Jun 23, 2026Updated 2 months ago
- Cheminformatics package from the Miranda-Quintana group☆22Jun 20, 2026Updated 2 months ago
- Repository for Q and Q-FEP modules☆27Updated this week
- Free Parametrization for Small Molecules☆66Jun 30, 2026Updated 2 months ago
- ☆19Aug 18, 2026Updated 3 weeks ago
- Official repository for the paper "Peptide design through binding interface mimicry with PepMimic" accepted by Nature Biomedical Engineer…☆42Oct 20, 2025Updated 10 months ago
- ProtFlow Implementation of the RiffDiff pipeline to design enzymes from theozymes.☆97Jul 31, 2026Updated last month
- Automate seekr handling with seekrflow to decrease time and manual intervention to complete seekr calculations.☆24Aug 11, 2026Updated last month
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- psi4+RDKit☆107May 13, 2025Updated last year
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆26Dec 24, 2025Updated 8 months ago
- PepFun 2.0: improved protocols for the analysis of natural and modified peptides☆30Jul 7, 2023Updated 3 years ago
- Data Processing Kitchen Sink for proteomics data☆15Jun 15, 2026Updated 2 months ago
- This repository contains setup instructions and the notebooks for the AI in drug discovery workshops☆24Mar 1, 2023Updated 3 years ago
- ☆98Oct 23, 2025Updated 10 months ago
- Repository containing pipelines developed for the SNAC-DB (Structural NANOBODY® VHH and Antibody Complex Database). SNAC-DB is ML-ready c…☆38Jun 8, 2026Updated 3 months ago
- ☆32Aug 28, 2025Updated last year
- benchmarking AI-powered docking methods from the perspective of virtual screening☆36Dec 26, 2024Updated last year
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- CosolvKit is a versatile tool for cosolvent MD preparation and analysis☆34Jun 9, 2026Updated 3 months ago
- Graphical Representation of Ancestral Sequence Predictions☆15Mar 6, 2023Updated 3 years ago
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆139Jan 28, 2026Updated 7 months ago
- Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"☆24Oct 2, 2024Updated last year
- Snippets for common computer-aided drug design tasks☆10Oct 17, 2017Updated 8 years ago
- ☆91Jan 23, 2026Updated 7 months ago
- EXPRORER: Rational cosolvents set construction method for cosolvent molecular dynamics (CMD) with large-scale computation☆11Jul 28, 2022Updated 4 years ago