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Browse files- resources/checkpoints/DiffDock/confidence_model/best_model_epoch75.pt +3 -0
- resources/checkpoints/DiffDock/confidence_model/model_parameters.yml +117 -117
- resources/checkpoints/DiffDock/score_model/best_ema_inference_epoch_model.pt +3 -0
- resources/checkpoints/DiffDock/score_model/model_parameters.yml +171 -171
- resources/checkpoints/DiffLinker/geom_difflinker.ckpt +3 -0
- resources/checkpoints/DiffLinker/geom_size_gnn.ckpt +3 -0
- resources/precomputed/.p.npy +3 -0
- resources/precomputed/.score.npy +3 -0
- resources/precomputed/.so3_cdf_vals4.npy +3 -0
- resources/precomputed/.so3_exp_score_norms4.npy +3 -0
- resources/precomputed/.so3_omegas_array4.npy +3 -0
- resources/precomputed/.so3_score_norms4.npy +3 -0
resources/checkpoints/DiffDock/confidence_model/best_model_epoch75.pt
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version https://git-lfs.github.com/spec/v1
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oid sha256:18d0fcc97fc55436786db02305ac61c734ad682aa5f8dee601555369c8461a57
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size 19312669
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resources/checkpoints/DiffDock/confidence_model/model_parameters.yml
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affinity_prediction: false
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all_atoms: true
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cache_path: data/cacheNew
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chain_cutoff: 10
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ckpt: best_model.pt
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confidence_dropout: 0.0
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resources/checkpoints/DiffDock/score_model/best_ema_inference_epoch_model.pt
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version https://git-lfs.github.com/spec/v1
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size 121063553
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resources/checkpoints/DiffDock/score_model/model_parameters.yml
CHANGED
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add_bootstrapping_dataset: false
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dataset: generalisation
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project: gen_train
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