CrysX DEMO: DFT based Embedding
This is an online interactive demo of various density functional theory (DFT) based embedding techniques like Frozen Density Embedding and Projection-based Embedding. It…
Read MoreThis is an online interactive demo of various density functional theory (DFT) based embedding techniques like Frozen Density Embedding and Projection-based Embedding. It…
Read MoreVideo Presentation I hope you’re enjoying my poster. If you have any questions regarding my work then you can ping me via any…
Read MoreInteractive DEMO – Perform DFT based embedding in the cloud I hope you’re enjoying my poster. If you have any questions regarding my…
Read MoreInteractive DEMO – Perform DFT based embedding in the cloud I hope you’re enjoying my poster. If you have any questions regarding my…
Read MoreChemical File Format Converter The following is the Web Application built using Python, Open Babel, Py3Dmol and Streamlit that allows inter-conversion between various…
Read MoreHi! It’s me, Manas Sharma. Unfortunately, I couldn’t be there in person as I didn’t get the VISA on time 🙁 Anyway, I…
Read MoreThe following is the Web Application built using Python, BSE and Streamlit that allows inter-conversion between various basis set formats used by different…
Read MoreIn this post, I demonstrate a Streamlit app that I have created that can be used to classify microstructures of different types. I…
Read MoreIn the last post, I showcased an app based on a neural network, trained on the MNIST dataset using the CrysX-NN library. The…
Read MoreRecently, I wrote a blog post on creating a Streamlit app for recognizing handwritten digits using a convolutional neural network model with the…
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