macrocycles

Tool to design cyclic peptides that mimic proteins and target their binding partners.

RDKit implementation of ConfBuster - a macrocycle conformer generator. Available on conda.

The public repository for the CyclicCAE conformational autoencoder. CyclicCAE encodes peptide macrocycle conformations in a low-dimensional latent space, useful for rapid sampling, structural refinement, or denoising.

Latent Labs — independent third-party profile of a public API surface, by API Evangelist. Latent Labs is a London- and San Francisco-based frontier AI lab founded in 2023 by Dr. Simon Kohl, a former senior research scientist on DeepMind's Nobel Prize-winning AlphaFold 2 and co-lead of DeepMind's protein design team.

A NICS-based multi-dimensional method to visualise areas of aromaticity and antiaromaticity in molecules. NICS values are calculated using Gaussian. Developed as part of an MChem project at Loughborough University.

This Repository contains my companion scripts to PorphyStruct. Feel free to use, steal some code or do whatever you like 😎

Vilya is a computational drug-design biotechnology company pioneering the de novo design of macrocycles — entirely new therapeutic molecules that do not exist in nature. Spun out of the Institute for Protein Design and built on Nobel Prize-winning computational protein-design research from scientific founder Dr.

Circle Pharma — independent third-party profile of a public API surface, by API Evangelist. Circle Pharma is a clinical-stage biopharmaceutical company in South San Francisco, California, developing cell-permeable, orally bioavailable macrocycle therapies for cancer. Founded in 2013 by Matthew P.