Tool to design cyclic peptides that mimic proteins and target their binding partners.
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Jul 9, 2024 - Jupyter Notebook
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macrocycles
Here are 8 public repositories matching this topic...
RDKit implementation of ConfBuster - a macrocycle conformer generator. Available on conda.
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Jun 24, 2020 - Python
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.
python cplusplus cpp proteins protein-structure python3 autoencoder rosetta peptides folding protein-design rosetta-scripts macrocycles-conformational-search protein-folding macrocycles peptide-design
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Oct 19, 2026 - Python
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.
biology computational-biology artificial-intelligence drug-discovery drug-design life-sciences protein-design antibodies biotech apis-json alphafold pharmaceutical macrocycles foundation-models generative-ai programmable-biology protein-binders
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Oct 30, 2026
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.
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Apr 25, 2022 - Python
Vilya — independent third-party profile of a public API surface, by API Evangelist. 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 prot
company computational-biology artificial-intelligence drug-discovery life-sciences protein-design biotechnology apis-json therapeutics macrocycles
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Nov 1, 2026
This Repository contains my companion scripts to PorphyStruct. Feel free to use, steal some code or do whatever you like 😎
python chemistry crystallography nsd conformation conformational-analysis macrocycles-conformational-search coordination-chemistry macrocycles porphystruct
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Mar 14, 2024 - Jupyter Notebook
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.
company drug-discovery clinical-trials life-sciences biotechnology oncology pharmaceuticals content-api apis-json macrocycles
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Oct 29, 2026
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