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Macinchem Blog

Command Line tools updated

6 March 202415 March 2024 chris

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Jupyter Notebook Macinchem Blog Science Apps

ShEPhERD: Shape, Electrostatics, and Pharmacophore Explicit Representation Diffusion

23 November 202423 November 2024 chris
Hints and Tutorials Macinchem Blog Vortex Scripts

Vortex script to export multiple workspaces to individual sdf files.

19 November 202419 November 2024 chris

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22 Nov

Watch → @YouTube
Spotify → https://goo.gle/4ifGv31
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Or listen wherever you get your podcasts! 🎧

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19 Nov

Vortex script to export multiple workspaces to individual sdf files https://macinchem.org/2024/11/19/vortex-script-to-export-multiple-workspaces-to-individual-sdf-files/ #Vortex #cheminformatics

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18 Nov

Do not forget to register for the BMCS-CICAG Hot Topics: Robotics and Automation 2024 ❗

The BMCS Hot Topics online meetings are intended to highlight breaking areas of research in fields of science relevant to drug discovery.

📅 Registration Deadline: 17:00, 19th November 2024…

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18 Nov

Boltz-1:Democratizing Biomolecular Interaction Modeling https://macinchem.org/2024/11/18/boltz-1democratizing-biomolecular-interaction-modeling/

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