mirunacrt /SynFlowNet
Synthesis-based molecule generation via GFlowNet
★ 135 · Updated 1y ago · MIT
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mirunacrt /SynFlowNet
Synthesis-based molecule generation via GFlowNet
★ 135 · Updated 1y ago · MIT
gncs /molgym
Quantum mechanics-guided molecular design RL
★ 127 · Updated 3y ago · MIT
guanjq /LinkerNet
Fragment linker co-design diffusion model
★ 21 · Updated 2y ago · MIT
ytl0410 /Polymer-Generative-Models-Benchmark
Well-trained models and generative outcomes for the paper "Benchmarking Study of Deep Generative Models for Inverse Polymer Design"
★ 12 · Updated 1y ago · Licence unknown
CoDNet1 /CoDNet
No description
★ 1 · Updated 1y ago · Licence unknown
CAODH /MolGenBench
Benchmarking Real-World Applicability of Molecular Generative Models from De novo Design to Lead Optimization with MolGenBench
★ — · Updated unknown · Licence unknown