Peptide <-> SMILES utilities for monomer peptides with non-canonical residues, terminal modifications, and selected cyclizations.
☆18Apr 8, 2026Updated 3 months ago
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:
- ML-based ligand generator☆24May 8, 2026Updated 2 months ago
- ☆26Aug 18, 2025Updated 10 months ago
- This is a mirror repository of gpu4pyscf. Please refer to https://github.com/pyscf/gpu4pyscf for the latest development.☆16Updated this week
- ☆45Apr 30, 2024Updated 2 years ago
- ☆36Jun 10, 2025Updated 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.
- Virtual Medicinal Chemist, SAR reasoning☆34Jun 9, 2026Updated last month
- ☆25Jun 10, 2026Updated last month
- 这里提供了一个yaml可以通过conda来快速无痛一键安装ESMfold,算是已经踩过所有通过官方安装遇到的暗坑了。☆19Jan 31, 2024Updated 2 years ago
- Module providing brain MR images pre-processing workflows for Deep Learning.☆16Updated this week
- Computer-aided synthesis planning☆56Updated this week
- Deep generative modeling of protein structural ensembles☆38May 27, 2026Updated last month
- ☆29Updated this week
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆26Dec 24, 2025Updated 6 months ago
- Baseline model for PPB-Affinity benchmark data☆43May 21, 2025Updated 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.
- Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"☆23Oct 2, 2024Updated last year
- Source code and examples for AlphaFold Unmasked☆78Jun 23, 2026Updated 3 weeks ago
- ProtFlow Implementation of the RiffDiff pipeline to design enzymes from theozymes.☆94Jun 26, 2026Updated 2 weeks ago
- psi4+RDKit☆108May 13, 2025Updated last year
- Data Processing Kitchen Sink for proteomics data☆14Jun 15, 2026Updated 3 weeks ago
- ☆32Aug 28, 2025Updated 10 months ago
- ☆23Mar 27, 2026Updated 3 months ago
- ☆18Dec 31, 2024Updated last year
- CosolvKit is a versatile tool for cosolvent MD preparation and analysis☆33Jun 9, 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.
- Its a CAM(Class Activation Mapping) demo for 3d medical image. (pytorch and UNet 3d)☆14Nov 3, 2022Updated 3 years ago
- ☆72May 18, 2026Updated last month
- Snippets for common computer-aided drug design tasks☆10Oct 17, 2017Updated 8 years ago
- 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 …☆35Apr 23, 2026Updated 2 months ago
- EXPRORER: Rational cosolvents set construction method for cosolvent molecular dynamics (CMD) with large-scale computation☆11Jul 28, 2022Updated 3 years ago
- chemalot: a command-line cheminformatics open-source package☆40Jun 4, 2023Updated 3 years ago
- Code for the paper "Contrastive learning for regression in multi-site brain age prediction" | ISBI 2023 https://doi.org/10.1109/ISBI53787…☆13May 5, 2023Updated 3 years ago
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆129Jan 28, 2026Updated 5 months ago
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆41Jun 17, 2026Updated 3 weeks 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.
- Graphical Representation of Ancestral Sequence Predictions☆14Mar 6, 2023Updated 3 years ago
- Tutorial using PLANTS (Protein-Ligand ANTSystem)☆13Jul 27, 2024Updated last year
- ☆85Jan 23, 2026Updated 5 months ago
- ASE calculator wrapper for g-xTB☆28Jul 4, 2025Updated last year
- ☆13Jul 5, 2024Updated 2 years ago
- LillyMol Public Code☆17Updated this week
- Prediction of protein melting temperatures directly from sequences☆14Apr 16, 2024Updated 2 years ago