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Haocheng1
/
CrystAF
Like
1
Reinforcement Learning
PyTorch
chemistry
materials-science
crystal-structure-prediction
organic-crystals
flow-map
distillation
machine-learned-potential
License:
cc-by-nc-4.0
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CrystAF
3.7 GB
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1 contributor
History:
18 commits
Haocheng1
Citation: drop venue
71efad6
verified
about 6 hours ago
.gitattributes
Safe
1.52 kB
initial commit
22 days ago
README.md
3.14 kB
Citation: drop venue
about 6 hours ago
clari-l-uma-nft-epoch1.pt
Safe
694 MB
xet
Clari-L after UMA-guided NFT (PB 86.88 -> 91.37 at 1000 families)
13 days ago
clari-m-uma-nft-epoch1.pt
Safe
353 MB
xet
Clari-M after UMA-guided NFT (PB 88.43 -> 91.61 at 1000 families)
13 days ago
crystaf-cont3-step2000.pt
724 MB
xet
Upload crystaf-cont3-step2000.pt with huggingface_hub
22 days ago
crystaf-nft-mfpure-epoch12.pt
Safe
751 MB
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CrystAF-NFT (MeanFlowNFT mfpure) epoch 12 report weights
14 days ago
crystaf-uma-rl-seed929-epoch6.pt
Safe
751 MB
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CrystAF after UMA-reward RL, seed 929 epoch 6 (PB 93.01, clash 7.98)
13 days ago
molcrystalflow-uma-nft-phaseB-epoch12.pt
Safe
73.8 MB
xet
MolCrystalFlow after UMA-guided NFT (lattice-volume RMAD 3.88 -> 3.16)
13 days ago
teacher-rank800-pbnft-epoch1.pt
353 MB
xet
Upload teacher-rank800-pbnft-epoch1.pt with huggingface_hub
22 days ago
