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Category: Macinchem Blog

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Macinchem Blog

Which Mac to buy June 2023?

6 June 20236 June 2023 chris

I’m looking to upgrade my old cylindrical MacPro and I was waiting for WWDC23 to see what the Pro line might have to offer and

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Macinchem Blog

Chances are you’ve heard about Mastodon

2 June 20232 June 2023 chris

The fast-growing social network that offers much of what you love (following friends and interesting people) while skipping many of the things you don’t (such

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Macinchem Blog

7 June 2023 Cambridge Cheminformatics Network Meeting

30 May 202330 May 2023 chris

In person at the Cambridge Crystallographic Data Centre on Union Road, Cambridge. 7 June 2023, 4-5.30pm UK time. Social event afterwards at the Alma.Registration (for Zoom

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Data Analysis Tools Hints and Tutorials Macinchem Blog

Scikit-LLM: Sklearn Meets Large Language Models

24 May 202324 May 2023 chris

I just stumbled across this and I thought I’d share it. Seamlessly integrate powerful language models like ChatGPT into scikit-learn for enhanced text analysis tasks.

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Macinchem Blog Science Apps

Quantum Chemistry Package for Maple 2023

18 May 202318 May 2023 chris

The 2023 Package has significant new features and enhancements including:    New Subpackage for Quantum Computing   Literature Search via 40+ Million Articles   Fly-through Molecule Animations   Custom Hamiltonians in Variational

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Macinchem Blog Science Apps

ChemDoodle 2D v12 is Unveiled

15 May 202315 May 2023 chris

iChemLabs have just announced the release of the hugely popular ChemDoodle 2D v12. https://ichemlabs.com/news/read?post=cd12_released ChemDoodle 2D v12 presents a new, refreshed interface. We took a

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Macinchem Blog Science Apps

UCSF ChimeraX version 1.6.1 has been released

11 May 202311 May 2023 chris

Updates since version 1.5 (Nov 2022) include: – ESMFold protein structure prediction and residue-residue error plot– Add Charge GUI– Dock Prep GUI to repair side

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Macinchem Blog Other Tips

Using GitHub Copilot within Xcode

5 May 20235 May 2023 chris

GitHub Copilot uses the OpenAI Codex to suggest code and entire functions in real-time, right from your editor. https://github.com/features/copilot Whilst I’m hoping that Apple will

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Macinchem Blog Science Apps

RDKit updated 2023_03_1 (Q1 2023) Release

2 May 20232 May 2023 chris

Full details here https://github.com/rdkit/rdkit/releases/tag/Release_2023_03_1 Installation injstructions https://github.com/rdkit/rdkit/blob/master/Docs/Book/Install.md

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Hints and Tutorials Macinchem Blog

PyScript

29 April 202329 April 2023 chris

This looks an interesting project, run python in your HTML. PyScript is a framework that allows users to create rich Python applications in the browser

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    Isambard-AI and Dawn AIRR supercomputers: Innovator route

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    The latest Nobel prizes for economics highlight how innovation and support for science drives growth. A timely reminder to invest in research. www.nature.com/articles/d41...

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