youmingzhao91

I would like to know if the fourth part of this series is available now. If it is available, can you put it here or share the link with us?

Error occurs at Line 146 of get_edges()

5

When I use your full_atom.ckpt to sample for the protein pockets in the test set of CrossDocked dataset, the following error occured. ``` File "DiffSBDD/equivariant_diffusion/dynamics.py", line 146, in get_edges edges...

How to sample mols on all pockets of the test set of Crossdocked dataset?

7

Hi, I am trying to set DiffSBDD cond method as one of baselines in my work, I would like to sample mols given 100 pockets from the test set of...

I would like to use the DDIM version of your conditional ddpm version as a baseline in our work. Since our method, which is not a diffusion model, supports fast...

kernel.cu(25): error: class "node_t" has no member "element"

1

kernel.cu(25): error: class "node_t" has no member "element" detected during: instantiation of "auto node_kernel_t::operator()(const X &, const X &) const [with X=node_t]" graphdot/graphdot/cpp/marginalized_kernel.h(227): here instantiation of "void graphdot::marginalized::labeled_compact_block_dynsched_pcg::compute(NodeKernel, EdgeKernel, Graph,...