Atoms are the building blocks of everything. Atoms can form strong bonds with each other, making molecules. Symbols and formulae Letters from the alphabet are used to represent chemical elements. An ...
mamba create -n quetzal python=3.10 mamba activate quetzal mamba install c-compiler cxx-compiler # needed for torch.compile pip install torch==2.6 lightning==2.5.0.post0 rdkit==2023.03.3 jupyter ...
This repository contains two primary tools: a high-performance CUDA kernel for calculating χ(P) and a Python script to orchestrate verification experiments. You need ...
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