Bump cuik-molmaker to v0.2

[sveccham]

Bump cuik-molmaker to v0.2

• Bump cuik-molmaker from 0.1.1 to 0.2 and switch installation from pip (NVIDIA PyPI) to conda (conda-forge)
• Update all call sites to use the new cuik-molmaker 0.2 API: *_to_tensor() functions renamed to *_to_array(), which now return NumPy arrays instead of Torch tensors
• Add torch.from_numpy().float() conversions where cuik-molmaker outputs feed into the PyTorch model, ensuring float32 dtype consistency
• Update rdkit dependency from 2025.03.2 to 2025.09.1 to match cuik-molmaker 0.2 requirements