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Tag: artificial intelligence

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Data Analysis Tools Macinchem Blog

ReALM: Reference Resolution As Language Modeling

2 April 2024 chris

A new Apple preprint has appeared on Arxiv. https://arxiv.org/pdf/2403.20329.pdf Reference resolution is an important problem, one that is essential to understand and success- fully handle

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Macinchem Blog Uncategorised

7th Artificial Intelligence in Chemistry Symposium Poster submission

22 March 202422 March 2024 chris

I just want to highlight the submission deadline for poster submission for the 7th Artificial Intelligence in Chemistry Symposium. The deadline is 3 May 2024,

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Macinchem Blog Science Apps

RoseTTAFold All-Atom is published

8 March 20248 March 2024 chris

I suspect many people have been anticipating this, whilst AlphaFold was a great step forward in predicting protein 3D structure it did have significant limitations.

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Macinchem Blog

7th Artificial Intelligence in Chemistry Conference

23 February 202423 February 2024 chris

The 7th RSC-CICAG / RSC-BMCS Artificial Intelligence in Chemistry conference will take place from Monday-Wednesday, 16th – 18th September 2024 at Churchill College, Cambridge, UK.

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Hints and Tutorials Macinchem Blog Science Apps

Chemprop: A Machine Learning Package for Chemical Property Prediction

28 December 202329 December 2023 chris

I know a few folks have been using this, good to see this publication DOI. Chemprop implements the D-MPNN architecture and offers simple, easy, and

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Macinchem Blog

Large language models on a mobile device?

24 December 202324 December 2023 chris

We are starting to see papers coming from Apple that highlight their efforts in the machine learning/artificial intelligence area. Recently we have seen MLX a

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Data Analysis Tools Macinchem Blog

Installing local LLM on Apple Silicon

11 December 202311 December 2023 chris

Great video by Alex Ziskind on installing a local large language models on Apple Silicon.

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Macinchem Blog

MLX a machine learning framework for Apple Silicon

8 December 20238 December 2023 chris

I just stumbled across this repository on GitHub, MLX: An array framework for Apple silicon https://github.com/ml-explore/mlx MLX is a NumPy-like array framework designed for efficient

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Macinchem Blog Other Tips Science Apps

REINVENT4

7 November 20237 November 2023 chris

REINVENT is a molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design, molecule optimization, and other small molecule design tasks. At

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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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Posts pagination

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  • View post by on Bluesky

    @macinchem.bsky.social 4 days

    Stacks:- Run classic HyperCard stacks on modern macOS

    Someone just sent me this link, and it brings back many memories. Anyone else remember HyperCard? https://morphing.cloud/hypercard FEATURES Run...

    https://macinchem.org/2026/07/13/stacks-run-classic-hypercard-stacks-on-modern-macos/
  • View post by on Bluesky

    @macinchem.bsky.social 1 week

    ChemScribble, hand draw chemical structures

    There have been a couple of attempts to create an application that allows users to hand draw chemical structures. Some rely on chemical structure recognition to convert...
  • View post by on Bluesky

    @macinchem.bsky.social 2 weeks

    Claude Science, an AI workbench for scientists, is now available

    Anthropic have released Claud Science, Claude Science brings fragmented tools that require specific file formats and Jupyter, R...

    https://macinchem.org/2026/07/01/claude-science-an-ai-workbench-for-scientists-is-now-available/
  • View post by on Bluesky

    @macinchem.bsky.social 2 weeks

    RSC CICAG Quantum Computing in Chemistry: Current Capabilities and the Road to Utility

    Registration for the Quantum Computing in Chemistry meeting is now open. It will be...
  • View post by on Bluesky

    @macinchem.bsky.social 3 weeks

    Looks interesting www.ukri.org/news/ukri-la...

Recent Posts

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  • Stacks:- Run classic HyperCard stacks on modern macOS
  • ChemScribble, hand draw chemical structures
  • Claude Science, an AI workbench for scientists, is now available
  • RSC CICAG Quantum Computing in Chemistry: Current Capabilities and the Road to Utility
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