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Praful932
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abmelt-experiments

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train · 5 rows

experiment_id stringclasses 5 values	antibody_name stringclasses 1 value	timestamp stringdate 2026-02-15 05:21:39 2026-02-15 13:09:26	heavy_chain stringclasses 1 value	light_chain stringclasses 1 value	tagg null	tm float64 -1.29 -0.36 ⌀	tmon null	job_id stringclasses 1 value	status stringclasses 1 value	duration_seconds int64 140 8.43k	config_hash stringclasses 3 values	error_message stringclasses 1 value	description stringclasses 5 values	temperatures stringclasses 1 value	simulation_time float64 0 10	force_field stringclasses 1 value	water_model stringclasses 1 value	salt_concentration int64 150 150	pH float64 7.4 7.4	p_salt stringclasses 1 value	n_salt stringclasses 1 value	gpu_enabled bool 1 class	gpu_id int64 0 0	n_threads int64 6 6	equilibration_time int64 0 0	block_length stringclasses 1 value	core_surface_k int64 20 20	compute_lambda bool 1 class	use_dummy_s2 bool 1 class	cleanup_temp bool 1 class	cleanup_after stringclasses 1 value	delete_order_params bool 1 class	save_trajectories bool 1 class	gyr_cdrs_Rg_std_350 float32 0 0.02	bonds_contacts_std_350 float32 0 15.7	rmsf_cdrl1_std_350 float32 0.03 0.04 ⌀	rmsf_cdrs_mu_400 float32 0.13 0.17 ⌀	gyr_cdrs_Rg_std_400 float32 0 0.02	all-temp_lamda_b=25_eq=20 float32	all-temp-sasa_core_mean_k=20_eq=20 float32	all-temp-sasa_core_std_k=20_eq=20 float32	r-lamda_b=2.5_eq=20 float32
exp_20260215_051916	daclizumab	2026-02-15T05:21:39.228639	QVQLVQSGAEVKKPGSSVKVSCKASGYTFTSYRMHWVRQAPGQGLEWIGYINPSTGYTEYNQKFKDKATITADESTNTAYMELSSLRSEDTAVYYCARGGGVFDYWGQGTLVTVSS	DIQMTQSPSTLSASVGDRVTITCSASSSISYMHWYQQKPGKAPKLLIYTTSNLASGVPARFSGSGSGTDFTLTISSLQPDDFATYYCHQRSTYPLTFGQGTKVEVK	null	null	null	unknown	success	140	52d61f9e9509a2a1271b8655e344d9c5		feature verify run 0.001 ns - gyr_cdrs_Rg_std_350	[300, 350, 400]	0.001	charmm27	tip3p	150	7.4	NA	CL	true	0	6	0	[2.5, 25]	20	true	true	true	inference	false	false	0	0	null	null	0	null	null	null	null
exp_20260215_052622	daclizumab	2026-02-15T05:56:09.622183	QVQLVQSGAEVKKPGSSVKVSCKASGYTFTSYRMHWVRQAPGQGLEWIGYINPSTGYTEYNQKFKDKATITADESTNTAYMELSSLRSEDTAVYYCARGGGVFDYWGQGTLVTVSS	DIQMTQSPSTLSASVGDRVTITCSASSSISYMHWYQQKPGKAPKLLIYTTSNLASGVPARFSGSGSGTDFTLTISSLQPDDFATYYCHQRSTYPLTFGQGTKVEVK	null	-0.459168	null	unknown	success	1,786	f8743d534889a6320f0e68dc76a9fb6b		feature verify run 2 ns - gyr_cdrs_Rg_std_350	[300, 350, 400]	2	charmm27	tip3p	150	7.4	NA	CL	true	0	6	0	[2.5, 25]	20	true	true	true	inference	false	false	0.011922	14.822263	0.029037	0.125608	0.010776	null	null	null	null
exp_20260215_062019	daclizumab	2026-02-15T06:51:49.139239	QVQLVQSGAEVKKPGSSVKVSCKASGYTFTSYRMHWVRQAPGQGLEWIGYINPSTGYTEYNQKFKDKATITADESTNTAYMELSSLRSEDTAVYYCARGGGVFDYWGQGTLVTVSS	DIQMTQSPSTLSASVGDRVTITCSASSSISYMHWYQQKPGKAPKLLIYTTSNLASGVPARFSGSGSGTDFTLTISSLQPDDFATYYCHQRSTYPLTFGQGTKVEVK	null	-0.359066	null	unknown	success	1,888	f8743d534889a6320f0e68dc76a9fb6b		feature verify run 2 ns - gyr_cdrs_Rg_std_350 - 2nd run	[300, 350, 400]	2	charmm27	tip3p	150	7.4	NA	CL	true	0	6	0	[2.5, 25]	20	true	true	true	inference	false	false	0.009311	14.706333	0.02656	0.127651	0.018061	null	null	null	null
exp_20260215_070527	daclizumab	2026-02-15T09:23:49.305258	QVQLVQSGAEVKKPGSSVKVSCKASGYTFTSYRMHWVRQAPGQGLEWIGYINPSTGYTEYNQKFKDKATITADESTNTAYMELSSLRSEDTAVYYCARGGGVFDYWGQGTLVTVSS	DIQMTQSPSTLSASVGDRVTITCSASSSISYMHWYQQKPGKAPKLLIYTTSNLASGVPARFSGSGSGTDFTLTISSLQPDDFATYYCHQRSTYPLTFGQGTKVEVK	null	-0.876394	null	unknown	success	8,300	e7f351970b3e53d2b3f4ab99329d384c		feature verify run 10 ns - gyr_cdrs_Rg_std_350	[300, 350, 400]	10	charmm27	tip3p	150	7.4	NA	CL	true	0	6	0	[2.5, 25]	20	true	true	true	inference	false	false	0.012342	15.067343	0.036034	0.174529	0.022975	null	null	null	null
exp_20260215_104855	daclizumab	2026-02-15T13:09:26.675208	QVQLVQSGAEVKKPGSSVKVSCKASGYTFTSYRMHWVRQAPGQGLEWIGYINPSTGYTEYNQKFKDKATITADESTNTAYMELSSLRSEDTAVYYCARGGGVFDYWGQGTLVTVSS	DIQMTQSPSTLSASVGDRVTITCSASSSISYMHWYQQKPGKAPKLLIYTTSNLASGVPARFSGSGSGTDFTLTISSLQPDDFATYYCHQRSTYPLTFGQGTKVEVK	null	-1.291615	null	unknown	success	8,430	e7f351970b3e53d2b3f4ab99329d384c		feature verify run 2 10 ns - gyr_cdrs_Rg_std_350	[300, 350, 400]	10	charmm27	tip3p	150	7.4	NA	CL	true	0	6	0	[2.5, 25]	20	true	true	true	inference	false	false	0.017852	15.691869	0.031794	0.128846	0.015011	null	null	null	null

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