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1. DIFFUMOL DIFFUMOL Public

   Forked from ComputeSuda/DIFFUMOL

   Hitting Stride by Degrees: Fine Grained Molecular Generation via Diffusion Model

   Python

2. memo-hub memo-hub Public

   2025/11/27（大三上）完成虚拟化的作业

   Python

3. DIFFUMOL-GAT-CrossAttention DIFFUMOL-GAT-CrossAttention Public

   采用ddim的原DIFFUMOL模型加入GAT图嵌入并采用CrossAttention机制

   Python

4. DIFFUMOL-GAT-gate DIFFUMOL-GAT-gate Public

   采用ddim250的DIFFUMOL采用轻量级门控融合机制利用GAT图嵌入

   Python

5. D-GAT-CrossAttention-ECFP D-GAT-CrossAttention-ECFP Public

   加上了分子指纹ECFP

   Python

6. D-GAT-CA-Gate-ECFP D-GAT-CA-Gate-ECFP Public

   加入ECFP

   Python