data_id stringlengths 6 6 | messages listlengths 2 12 | images listlengths 0 2 | files listlengths 0 2 | meta dict |
|---|---|---|---|---|
M58TL5 | [
{
"role": "user",
"content": "MAVSVTPIRDTKWLTLEVCREFQRGTCSRPDTECKFAHPSKSCQVENGRVIACFDSLKGRCSRENCKYLHPPPHLKTQLEINGRNNLIQQKNMAMLAQQMQLANAMMPGAPLQPVPMFSVAPSLATNASAAAFNPYLGPVSPSLVPAEILPTAPMLVTGNPGVPVPAAAAAAAQKLMRTDRLEVCREYQRGNCNRGENDCRFAHPADSTMIDTNDNTVTVCMDYIKGRCSREKCKYFHPPAHLQAKIKAAQYQVNQAAAAQAAATAAAMTQSAVKSLK... | [] | [] | {
"subject": "Biology",
"task_type": "Protein sequence function analysis",
"language": "en",
"turns": 1,
"label": null
} |
WDSS7E | [
{
"role": "user",
"content": "Do we know whether this drug is applied topically? N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO"
},
{
"role": "assistant",
"content": "<think>\nWe need to analyze the giv... | [] | [] | {
"subject": "Chemistry",
"task_type": "Molecular usage and drug role description",
"language": "en",
"turns": 1,
"label": null
} |
WKORC2 | [
{
"role": "user",
"content": "A clean vector scientific schematic diagram of a supernet architecture for few-shot adaptation. The layout features a large light gray container holding three vertical blocks labeled $g_1^{\\phi, \\phi', \\alpha}$, $g_2^{\\phi, \\phi', \\alpha}$, and $g_K^{\\phi, \\phi', \\alph... | [] | [] | {
"subject": "CS",
"task_type": "Image editing",
"language": "en",
"turns": 3,
"label": {
"type": "image_edit",
"value": [
"assets/sci_multi/dev_images_2306.09295_2306.09295_supernet-arch.png_turn1.png",
"assets/sci_multi/dev_images_2306.09295_2306.09295_supernet-arch.png_turn2.png",
... |
LNGBZ4 | [
{
"role": "user",
"content": "Protein-site prediction problem:\n Predict the key contact residues in <PROT>ISGDSVSSNSAAWRTYYRSKWFNDARGIVFSYAMDVWGSCTRSSGSIASYYVQWYIYEDSQRPSGVYCQSYDSSNVVFG</PROT> that drive antibody recognition of antigens."
},
{
"role": "assistant",
"content": "<think>\nTh... | [] | [] | {
"subject": "Biology",
"task_type": "Protein antibody binding site prediction",
"language": "en",
"turns": 1,
"label": {
"type": "prot_cla",
"value": [
14,
16,
18,
19,
20,
22,
24,
29,
30,
32,
48,
49,
50,
51,
58,... |
144TZI | [
{
"role": "user",
"content": "Protein-site prediction problem:\n Locate potential RNA-interaction hotspots on protein sequence <PROT>HVFKSRLQEYAQKYKLPTPVYEIVKEGPSHKSLFQSTVILDGVRYNSLPGFFNRKAAEQSAAEVALRELAK</PROT>."
},
{
"role": "assistant",
"content": "<think>\nThe user wants to identify p... | [] | [] | {
"subject": "Biology",
"task_type": "Protein RNA binding site prediction",
"language": "en",
"turns": 1,
"label": {
"type": "prot_cla",
"value": [
29,
30,
34,
52,
53,
54
]
}
} |
BLMMDP | [
{
"role": "user",
"content": "MELLCHEVDPVRRAVRDRNLLRDDRVLQNLLTIEERYLPQCSYFKCVQKDIQPYMRRMVATWMLEVCEEQKCEEEVFPLAMNYLDRFLAGVPTPKSHLQLLGAVCMFLASKLKETSPLTAEKLCIYTDNSIKPQELLEWELVVLGKLKWNLAAVTPHDFIEHILRKLPQQREKLSLIRKHAQTFIALCATGGRISGSHQHLTSPDFKFAMYPPSMIATGSVGAAICGLQQDEEVSSLTCDALTELLAKITNTDVDCLKACQEQIEAVLLNSLQQYRQD... | [] | [] | {
"subject": "Biology",
"task_type": "Protein PPI binding site prediction",
"language": "en",
"turns": 1,
"label": null
} |
OFJA5N | [
{
"role": "user",
"content": "Can you tell me what the HOMO energy is for the molecule with this SMILES? O=C1OC2C3OC1C23O"
},
{
"role": "assistant",
"content": "<think>\nWe need to determine the HOMO energy for the molecule with the SMILES string \"O=C1OC2C3OC1C23O\". This is a request for a spe... | [] | [] | {
"subject": "Chemistry",
"task_type": "Molecular HOMO energy prediction",
"language": "en",
"turns": 1,
"label": null
} |
YA4VGH | [
{
"role": "user",
"content": "<image>Generate a sharp, high-resolution brain MRI from this 4x K-space truncated low-resolution T1 input."
},
{
"role": "assistant",
"content": "<think>\nExamining the provided scan, I recognize the distinct intensity patterns of a T1-weighted sequence even though ... | [
"assets/sci_edit/LRx4_IXI567_HH_2536_T1_slice_069.png"
] | [] | {
"subject": "Medicine",
"task_type": "Brain MRI image super-resolution",
"language": "en",
"turns": 1,
"label": {
"type": "image_edit",
"value": [
"assets/sci_edit/HR_IXI567_HH_2536_T1_slice_069.png"
]
}
} |
QV2JOI | [
{
"role": "user",
"content": "<SMILES>C1CCCC1</SMILES> 在 298.15 K 下的定容热容 Cv 预计是多少？请以 cal/(mol*K) 表示。"
},
{
"role": "assistant",
"content": "<think>\n首先，输入的 SMILES 字符串 C1CCCC1 对应的是一个由五个碳原子构成的饱和脂环烃，即环戊烷。该分子完全由碳和氢两种轻元素组成，不含任何杂原子、双键或芳香环系，属于典型的非极性饱和碳氢化合物。从三维空间构型来看，五元环并非完美的平面结构，而是通过采取信封式等折叠构象来缓解角张力与扭转... | [] | [] | {
"subject": "Chemistry",
"task_type": "Molecular isochoric heat capacity prediction",
"language": "zh",
"turns": 1,
"label": {
"type": "linear_pre",
"value": 18.624
}
} |
SYETTZ | [
{
"role": "user",
"content": "请预测 <SMILES>CCCCOC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1</SMILES> 的转换后急性毒性 LD50 数值（单位/尺度：-log10(mol/kg)）；该转换值越高通常表示急性毒性越强。"
},
{
"role": "assistant",
"content": "<think>\n首先，从分子骨架来看，该 SMILES 对应一个具有二芳胺核心结构的化合物。其结构主要由一个丁氧羰基取代的苯环通过仲氨基与一个间三氟甲基取代的苯环相连构成。分子中包含了正丁氧基、两个芳香环以及一个三氟甲基... | [] | [] | {
"subject": "Chemistry",
"task_type": "Molecular LD50 acute toxicity prediction",
"language": "zh",
"turns": 1,
"label": {
"type": "linear_pre",
"value": 2.8200000000000003
}
} |
2P3YVB | [
{
"role": "user",
"content": "What makes the Fe3C(Fe)@NDGL catalyst more effective?"
},
{
"role": "assistant",
"content": "<think>\nThe catalyst notation Fe3C(Fe)@NDGL suggests a composite where Fe3C (iron carbide) and possibly metallic Fe species are supported on or encapsulated by nitrogen-dop... | [] | [] | {
"subject": "Materials",
"task_type": "Materials science benchmark QA",
"language": "en",
"turns": 1,
"label": null
} |
11GQ9Z | [
{
"role": "user",
"content": "蛋白质位点预测问题：\n 对于 <PROT>ASGFTFSSYGMVIWYDGTNTYARDLAYRDYVWRYFDLWGSCRASQSVSTYLAWYIYDASNRATGIYCQCRSNWPGITFG</PROT>，找出可能位于抗原结合区域的残基。"
},
{
"role": "assistant",
"content": "<think>\n基于序列特征分析，该 83 个残基的多肽对应于免疫球蛋白重链可变区（VH）或单域抗体（VHH/Nanobody）的可变结构域。抗原结合位点（paratope）主要位于三个... | [] | [] | {
"subject": "Biology",
"task_type": "Protein antibody binding site prediction",
"language": "zh",
"turns": 1,
"label": {
"type": "prot_cla",
"value": [
14,
16,
18,
19,
21,
27,
28,
29,
30,
31,
33,
48,
49,
50,
70,... |
V77G1P | [
{
"role": "user",
"content": "MSHTILLVQPTKRPEGRTYADYESVNECMEGVCKMYEEHLKRMNPNSPSITYDISQLFDFIDDLADLSCLV\nIs the protein involved in mRNA processing?"
},
{
"role": "assistant",
"content": "<think>\nWe need to analyze the protein sequence: MSHTILLVQPTKRPEGRTYADYESVNECMEGVCKMYEEHLKRMNPNSPSITYDISQLFDF... | [] | [] | {
"subject": "Biology",
"task_type": "Protein function description",
"language": "en",
"turns": 1,
"label": null
} |
JGVKSY | [
{
"role": "user",
"content": "<image>使用半透明的黄色来标示这张页岩 SEM 图像中的固体岩石相。"
},
{
"role": "assistant",
"content": "<think>\n扫描这张 SEM 图像揭示了一种经典的页岩微观结构，其主要特征是紧密堆积的粘土矿物集合体。我注意到岩石基质由这些细颗粒组成，它们包围着中心区域可见的那个显著的不规则孔隙。这种结构表明孔隙度主要是粒间孔隙，源于伊利石或混合层粘土簇的排列。为了满足要求，我需要准确地将这些固体矿物相与空隙空间分割开来。我准备好定义粘土基质的边界，并生成黄色半透明覆盖层以强调固体框... | [
"assets/sci_edit/imgs_F1-1HF-ID-179_006-Mag-6000x-Scale-20um-Depth-3668.2m_resizeTo_20.0KX_up_left_21.png"
] | [] | {
"subject": "Geography",
"task_type": "Rock SEM image segmentation",
"language": "zh",
"turns": 1,
"label": {
"type": "image_edit",
"value": [
"assets/sci_edit/labels_yellow_F1-1HF-ID-179_006-Mag-6000x-Scale-20um-Depth-3668.2m_resizeTo_20.0KX_up_left_21.png"
]
}
} |
2T1TDG | [
{
"role": "user",
"content": "MASRSKRRAVESGVPQPPDPPVQRDEEEEKEVENEDEDDDDSDKEKDEEDEVIDEEVNIEFEAYSLSDNDYDGIKKLLQQLFLKAPVNTAELTDLLIQQNHIGSVIKQTDVSEDSNDDMDEDEVFGFISLLNLTERKGTQCVEQIQELVLRFCEKNCEKSMVEQLDKFLNDTTKPVGLLLSERFINVPPQIALPMYQQLQKELAGAHRTNKPCGKCYFYLLISKTFVEAGKNNSKKKPSNKKKAALMFANAEEEFFYEGKPEVLGGPDTRRGLEPVPI... | [] | [] | {
"subject": "Biology",
"task_type": "Protein function prediction",
"language": "en",
"turns": 1,
"label": null
} |
C3Y7HA | [
{
"role": "user",
"content": "How does the mechanical behavior of soft tissue contribute to injuries sustained during physical activities or accidents?"
},
{
"role": "assistant",
"content": "<think>\nHmm, the user is asking a biomechanics question about how soft tissue's mechanical behavior lead... | [] | [] | {
"subject": "Biology",
"task_type": "Graduate-level open-ended biology QA",
"language": "en",
"turns": 1,
"label": null
} |
8S2XEM | [
{
"role": "user",
"content": "Given the description in The molecule is a natural product found in Streptomyces xiamenensis with data available., construct the molecule."
},
{
"role": "assistant",
"content": "<think>\nThe description points to a natural product isolated from the marine-derived ac... | [] | [] | {
"subject": "Chemistry",
"task_type": "Chemical entity recognition",
"language": "en",
"turns": 1,
"label": null
} |
Z2UESW | [
{
"role": "user",
"content": "<file>\n<image>\nPlease analyze the infrared spectrum given above and predict the functional groups that may be present."
},
{
"role": "assistant",
"content": "<think>\nBased on the provided IR spectrum, I will perform a systematic analysis starting from the high-wa... | [
"assets/spectra_images/045806_ir.png"
] | [
"assets/spectra_jdx/045806_ir.jdx"
] | {
"subject": "Chemistry",
"task_type": "IR spectrum functional group identification",
"language": "en",
"turns": 1,
"label": null
} |
41GJM7 | [
{
"role": "user",
"content": "Protein-site prediction problem:\n Determine which residues of antigen <PROT>DFGLDCDEESRCCRYPLTVDFEAFGWDWIIAPKRYKANYCSGECEFVFLQKYPHTHLVHQANPRGSAGPCCTPTKMSPINMLYFNGKEQIIYGKIPAMVVDRCGCS</PROT> may function as epitope residues."
},
{
"role": "assistant",
"conten... | [] | [] | {
"subject": "Biology",
"task_type": "Protein epitope prediction",
"language": "en",
"turns": 1,
"label": {
"type": "prot_cla",
"value": [
22,
27,
28,
30,
31,
32,
33,
80,
82,
84,
88,
89,
90,
91,
92
]
}
} |
T93K2H | [
{
"role": "user",
"content": "MQDVVIVAATRTAVGSFQGSLAGIPAPELGAAVIRRLLEQTGLDAGQVDEVILGQVLTAGSGQNPARQAAIKAGLPVGVPAMTLNKVCGSGLKALHLGAQAIRCGDAEVIVAGGQENMSLAPYVMPGARTGLRMGHAKLVDSMIEDGLWDAFNDYHMGITAENLAEKYGLTREEQDAFAAASQQKAIAAIEGGRFRDEITPIQVPQRKGEPLGFDTDEQPRAGTTVEALAKLKPAFRKDGSVTAGNASSLNDGAAAVLLMSAAKAKALGLPVLARIAS... | [] | [] | {
"subject": "Biology",
"task_type": "Protein standard name",
"language": "en",
"turns": 1,
"label": null
} |
ZFZZ8O | [
{
"role": "user",
"content": "<image>Use a yellow semi-transparent color to indicate the solid grain areas in this sandstone SEM image."
},
{
"role": "assistant",
"content": "<think>\nLooking at this scanning electron micrograph, I can immediately distinguish the coarse mineral framework typical... | [
"assets/sci_edit/imgs_plug_44_image_13-0_0.17um_top_right_up_left_63.png"
] | [] | {
"subject": "Geography",
"task_type": "Rock SEM image segmentation",
"language": "en",
"turns": 1,
"label": {
"type": "image_edit",
"value": [
"assets/sci_edit/labels_yellow_plug_44_image_13-0_0.17um_top_right_up_left_63.png"
]
}
} |
7T7G4O | [
{
"role": "user",
"content": "蛋白质位点预测问题：\n确定蛋白质 <PROT>GTSLTDEELVTSVRELNQHLRGLSKEEIIQLKQRRRTLKNRGYAASCRVKRVTQKEELEKQKAELQQEVEKLASENASKLELDALRSKYE</PROT> 中的哪些残基可能形成 DNA 结合界面。"
},
{
"role": "assistant",
"content": "<think>\n让我分析这个蛋白质序列以预测 DNA 结合残基。蛋白质序列为：\nGTSLTDEELVTSVRELNQHLRGLSKEEIIQLKQRRRTLKNRG... | [] | [] | {
"subject": "Biology",
"task_type": "Protein DNA binding site prediction",
"language": "zh",
"turns": 1,
"label": {
"type": "prot_cla",
"value": [
35,
36,
39,
40,
41,
43,
44,
47,
48,
50,
51
]
}
} |
NCVMA1 | [
{
"role": "user",
"content": "<file>\n<image>\nPlease analyze the infrared spectrum given above and predict the functional groups that may be present."
},
{
"role": "assistant",
"content": "<think>\nObserving the high wavenumber region between 4000 and 3000 cm⁻¹, I note two distinct, relatively ... | [
"assets/spectra_images/029057_ir.png"
] | [
"assets/spectra_jdx/029057_ir.jdx"
] | {
"subject": "Chemistry",
"task_type": "IR spectrum functional group identification",
"language": "en",
"turns": 1,
"label": null
} |
H81ETI | [
{
"role": "user",
"content": "基于 Ames 试验，<SMILES>CN(Cc1ccccc1)C(=O)CBr</SMILES> 是否会被认为具有遗传毒性？Ames 阳性通常提示化合物可能诱导基因突变。"
},
{
"role": "assistant",
"content": "<think>\n首先，对目标分子的结构特征进行解析。该分子的 SMILES 为 CN(Cc1ccccc1)C(=O)CBr，其核心骨架为一个 N-甲基-N-苄基-2-溴乙酰胺结构。分子中包含一个单取代苯环作为疏水芳香片段，通过亚甲基与叔酰胺氮原子相连。酰胺羰基的 α 位连接有一... | [] | [] | {
"subject": "Chemistry",
"task_type": "Molecular Ames mutagenicity classification",
"language": "zh",
"turns": 1,
"label": {
"type": "linear_cla",
"value": 0
}
} |
D3251E | [
{
"role": "user",
"content": "Protein-site prediction problem:\n Which residues of <PROT>SNQKHIDKIQAVIKDVKFAISTSNKKGDIHAWPTTSEVNLDNKEIWFIGDKTSDVVKDIQDDARIGLTYATQDEKNYVSISGDAELPTDKAKLDELWSPVYSAFFANGKEDANIQLIKVVPHGVECWLSG</PROT> are most likely located at a protein–protein interface?"
},
{
"rol... | [] | [] | {
"subject": "Biology",
"task_type": "Protein PPI binding site prediction",
"language": "en",
"turns": 1,
"label": {
"type": "prot_cla",
"value": [
16,
17,
18,
21,
26,
27,
28,
29,
30,
31,
32,
33,
64,
66,
68,
... |
0SX9GA | [
{
"role": "user",
"content": "For <SMILES>c1ccc2cc3c(ccc4ccc5cc6c(ccc7c8ccccc8ccc67)cc5c43)cc2c1</SMILES>, please predict its adiabatic electron affinity aEA, reported in eV. Use the definition aEA = Etot_neg_eV - Etot_eV, namely E(anion, charge -1, doublet) minus E(neutral molecule, charge 0, singlet)."
... | [] | [] | {
"subject": "Chemistry",
"task_type": "Molecular adiabatic electron affinity prediction",
"language": "en",
"turns": 1,
"label": {
"type": "linear_pre",
"value": -1.057
}
} |
6K5R6D | [
{
"role": "user",
"content": "<image>请在这张 CT 图像中，通过叠加半透明的红色来突出显示脾脏区域。"
},
{
"role": "assistant",
"content": "<think>\n用户希望我在这张扫描图像上识别并高亮显示脾脏区域。查看这张轴向 CT 切片，我立刻注意到解剖结构是翻转的，因为图像的右侧代表患者的左侧。左上象限有一个占据主导地位的巨大的软组织结构，这显然是脾脏，与对侧的肝脏相比，它显著增大。其纹理看起来相当均匀，没有明显的局灶性病变，但其巨大的体积正在向后压迫肺组织。我还注意到背部附近有一些金属条纹伪影，可能来自定位标... | [
"assets/sci_edit/images_Spleen_spleen_49_040.png"
] | [] | {
"subject": "Medicine",
"task_type": "Medical research illustration editing",
"language": "zh",
"turns": 1,
"label": {
"type": "image_edit",
"value": [
"assets/sci_edit/labels_red_Spleen_spleen_49_040.png"
]
}
} |
VG6CYE | [
{
"role": "user",
"content": "<image>I want you to mark all grain-related features in this sandstone SEM image with a yellow overlay."
},
{
"role": "assistant",
"content": "<think>\nScanning this micrograph, I immediately recognize the classic texture of a clastic sedimentary rock. It looks like... | [
"assets/sci_edit/imgs_plug_44_image_13-0_0.17um_bottom_left_up_left_188.png"
] | [] | {
"subject": "Geography",
"task_type": "Rock SEM image segmentation",
"language": "en",
"turns": 1,
"label": {
"type": "image_edit",
"value": [
"assets/sci_edit/labels_yellow_plug_44_image_13-0_0.17um_bottom_left_up_left_188.png"
]
}
} |
N3GM87 | [
{
"role": "user",
"content": "分子 <SMILES>NC(=O)NCCCC(NC(=O)OCCCCCN1C=CC(=O)NC1=O)C(=O)O</SMILES> 是否可能阻断或抑制 HIV 复制？"
},
{
"role": "assistant",
"content": "<think>\n首先，对该分子的SMILES字符串进行结构解析，可识别出其包含多个显著的化学特征模块。分子一端为脲基（NC(=O)N），通过丁基链连接至一个中心氮原子，该氮原子同时连接着羧基（C(=O)O）与氨基甲酸酯（NC(=O)O）片段，后者进一步通过戊基链延伸至一个尿嘧啶环（... | [] | [] | {
"subject": "Chemistry",
"task_type": "Molecular HIV activity classification",
"language": "zh",
"turns": 1,
"label": {
"type": "linear_cla",
"value": 0
}
} |
TKYM98 | [
{
"role": "user",
"content": "<file>\n<image>\nPlease analyze the infrared spectrum given above and predict the functional groups that may be present."
},
{
"role": "assistant",
"content": "<think>\nFirst, I examine the functional group region (4000-1500 cm-1). The spectrum is dominated by a ver... | [
"assets/spectra_images/039404_ir.png"
] | [
"assets/spectra_jdx/039404_ir.jdx"
] | {
"subject": "Chemistry",
"task_type": "IR spectrum functional group identification",
"language": "en",
"turns": 1,
"label": null
} |
2O5JUR | [
{
"role": "user",
"content": "<SMILES>CN1C2=CC=CC=C2C2=C1C(=O)C1=CC=CC=C1N2</SMILES> 是否具备作为抗 HIV 化合物的潜力？"
},
{
"role": "assistant",
"content": "<think>\n首先，对该分子的SMILES字符串进行结构解析，可识别其核心骨架为10-甲基吖啶酮衍生物。该分子由三个稠合环系构成，包含两个苯环与一个含氮及羰基的中央杂环，整体呈现高度共轭与刚性平面特征。在电荷与电离状态方面，氮原子已被甲基化形成叔胺结构，羰基为典型氢键受体，分子在生理pH下主要以中性... | [] | [] | {
"subject": "Chemistry",
"task_type": "Molecular HIV activity classification",
"language": "zh",
"turns": 1,
"label": {
"type": "linear_cla",
"value": 0
}
} |
GIHADO | [
{
"role": "user",
"content": "How does the physiology of taste and smell contribute to the perception of flavor in foods?"
},
{
"role": "assistant",
"content": "<think>\nWe need to respond to the user's query: \"How does the physiology of taste and smell contribute to the perception of flavor in... | [] | [] | {
"subject": "Biology",
"task_type": "Biochemistry open-ended QA",
"language": "en",
"turns": 1,
"label": null
} |
L8GIME | [
{
"role": "user",
"content": "Protein-site prediction problem:\n Locate residues in antigen <PROT>LFGAIAGFIENGWEGLIDGWYGFRHQNAQGEGTAADYKSTQSAIDQITGKLNRLIEKTNQQFELIDNEFNEVEKQIGNVINWTRDSITEVWSYNAELLVAMENQHTIDLADSEMDKLYERVKRQLRENAEEDGTGCFEIFHKCDDDCMASIRNNTYDHSKYREEAMQNR</PROT> that may function as antib... | [] | [] | {
"subject": "Biology",
"task_type": "Protein epitope prediction",
"language": "en",
"turns": 1,
"label": {
"type": "prot_cla",
"value": [
15,
17,
18,
19,
20,
36,
37,
38,
40,
41,
44,
45,
47,
48,
51,
52,
... |
BP2WR9 | [
{
"role": "user",
"content": "<SMILES>CNC(=O)N(CCCCC(NC(C)=O)C(=O)NCC1=CC=CC=C1)CC1=CC=CC=C1</SMILES> 是否可被认为具有抗 HIV 复制活性？"
},
{
"role": "assistant",
"content": "<think>\n首先对该分子的SMILES进行系统解析，可识别出其核心为一个高度取代的氮原子，该氮原子同时参与脲键与酰胺键的构建，并连接着N-甲基脲基、苄基以及一条带有乙酰氨基和N-苄基酰胺末端的戊基链。整体分子骨架呈现明确的拟肽特征，包含多个酰胺与脲基团，并在不同位... | [] | [] | {
"subject": "Chemistry",
"task_type": "Molecular HIV activity classification",
"language": "zh",
"turns": 1,
"label": {
"type": "linear_cla",
"value": 0
}
} |
N0RSKQ | [
{
"role": "user",
"content": "Of the following factors, which one has the least influence on radiant heat transfer? \nA. Temperature difference \nB. Surface area \nC. Emissivity of the material \nD. Distance"
},
{
"role": "assistant",
"content": "<think>\nWe need to answer the question: \"Of... | [] | [] | {
"subject": "Physics",
"task_type": "Physics literature understanding",
"language": "en",
"turns": 1,
"label": null
} |
BTN5QF | [
{
"role": "user",
"content": "<file>\n<file>\n<image>\n<image>\nPlease predict the possible molecular SMILES based on these infrared and Raman spectra."
},
{
"role": "assistant",
"content": "<think>\nThe user needs me to predict the possible molecular SMILES based on the given infrared and Raman... | [
"assets/spectra_images/021657_ir.png",
"assets/spectra_images/021657_raman.png"
] | [
"assets/spectra_jdx/021657_ir.jdx",
"assets/spectra_jdx/021657_raman.jdx"
] | {
"subject": "Chemistry",
"task_type": "IR spectrum to SMILES prediction",
"language": "en",
"turns": 1,
"label": null
} |
ERM03Q | [
{
"role": "user",
"content": "<CIF># generated using pymatgen\ndata_SmAl4\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 7.882\n_cell_length_b 7.882\n_cell_length_c 7.882\n_cell_angle_alpha 147.324\n_cell_angle_beta 132.215\n_cell_angle_gamma 59.093\n_symmetry_Int_Tables_number 1.000\... | [] | [] | {
"subject": "Materials",
"task_type": "Material direct band gap classification",
"language": "en",
"turns": 1,
"label": {
"type": "linear_cla",
"value": false
}
} |
VZTLEM | [
{
"role": "user",
"content": "Make an image showing the process of DNA replication where DNA strands are binding with DNA polymerase."
},
{
"role": "assistant",
"content": "<think>\nI'll start by setting up a clean educational diagram on a light background with the title DNA REPLICATION in bold ... | [] | [] | {
"subject": "Biology",
"task_type": "Biology research illustration generation",
"language": "en",
"turns": 1,
"label": {
"type": "image_gen",
"value": [
"assets/sci_gen/1993310265428230145_en_simple_medium.png"
]
}
} |
8V5O19 | [
{
"role": "user",
"content": "蛋白质位点预测问题：\n 定位抗原 <PROT>WKPGDECFALYWEDNKFYRAEVEALHSSGMTAVVKFIDYGNYEEVLLSNIKPI</PROT> 中可能作为抗体结合表位残基的残基。"
},
{
"role": "assistant",
"content": "<think>\n1. **分析请求：**\n * **输入：** 蛋白质序列（抗原）：`WKPGDECFALYWEDNKFYRAEVEALHSSGMTAVVKFIDYGNYEEVLLSNIKPI`。\n * *... | [] | [] | {
"subject": "Biology",
"task_type": "Protein epitope prediction",
"language": "zh",
"turns": 1,
"label": {
"type": "prot_cla",
"value": [
11,
12,
13,
23,
24,
25,
26,
27,
31,
32,
33,
35,
37,
38,
39,
40,
... |
LUJBU0 | [
{
"role": "user",
"content": "What are the specific functions of the different organs in the human digestive system and how are they interconnected to ensure proper digestion of food?"
},
{
"role": "assistant",
"content": "<think>\nWe need to provide a comprehensive answer about the specific fun... | [] | [] | {
"subject": "Biology",
"task_type": "Biochemistry open-ended QA",
"language": "en",
"turns": 1,
"label": null
} |
DVFUWM | [
{
"role": "user",
"content": "Protein-site prediction problem:\n Identify candidate RNA-binding site residues in protein <PROT>TPTPSNVVLIGKKPVMNYVLAALTLLNQGVSEIVIKARGRAISKAVDTVEIVRNRFLPDKIEIKEIRVGSQVVSRVSTIEIAIRKK</PROT>."
},
{
"role": "assistant",
"content": "<think>\nI need to identify ... | [] | [] | {
"subject": "Biology",
"task_type": "Protein RNA binding site prediction",
"language": "en",
"turns": 1,
"label": {
"type": "prot_cla",
"value": [
11,
12,
13,
14,
18,
38,
39,
40,
41,
76
]
}
} |
S8BKIC | [
{
"role": "user",
"content": "Protein-site prediction problem:\n Please mark the likely protein-interaction residues in <PROT>SHMRALALIAHDAKKEEMVAFCQRHREVLARFPLVATGTTGRRIEEATGLTVEKLLSGPLGGDQQMGARVAEGRILAVIFFRDPLTAQPHEPDVQALLRVCDVHGVPLATNPMAAEALIPWLQSLVGYQT</PROT>."
},
{
"role": "assistant",
... | [] | [] | {
"subject": "Biology",
"task_type": "Protein PPI binding site prediction",
"language": "en",
"turns": 1,
"label": {
"type": "prot_cla",
"value": [
56,
58,
59,
60,
61,
63,
64,
65,
67,
68,
71,
72,
82,
84,
85,
... |
DZ0HJC | [
{
"role": "user",
"content": "请绘制一张高精度的多光谱联用原位监测科研示意图，画面主体为一个透明的催化反应容器，内部清晰展示活性位点的原子配位环境与氧化态结构变化。围绕反应室布置三组检测装置，分别标注英文标签 DRIFTS、XAS 和 EPR，不同颜色的光束汇聚于中心样品处。通过序列箭头连接不同反应阶段的结构模型，直观呈现动态演变过程，整体采用科技蓝与深灰色调风格，线条锐利，背景纯白，符合学术出版插图规范，确保文字清晰可辨。"
},
{
"role": "assistant",
"content": "<think>\n我打算先从画面中央开始，画一个透明的... | [] | [] | {
"subject": "Chemistry",
"task_type": "Chemistry research illustration generation",
"language": "zh",
"turns": 1,
"label": {
"type": "image_gen",
"value": [
"assets/sci_gen/1975980280520949761_zh_detailed_medium.png"
]
}
} |
DRIIPJ | [
{
"role": "user",
"content": "Out of the following conditions, which one is the least likely to be linked to a prolonged bleeding time? \n(A) Thrombocytopenia \n(B) Platelet dysfunction \n(C) Coagulation factor deficiencies \n(D) DIC"
},
{
"role": "assistant",
"content": "<think>\nWe need to... | [] | [] | {
"subject": "Chemistry",
"task_type": "Reaction condition prediction",
"language": "en",
"turns": 1,
"label": null
} |
PTVQSO | [
{
"role": "user",
"content": "Protein-site prediction problem:\n Identify residues in <PROT>ASGYSFIDYFMRIDPYSGDTFAREVLNYYAMDYWGTCKASDHIDNWLAWYISGATSLKTGLYCQQYWRTPYTFG</PROT> that are likely part of the functional antigen-grabbing surface."
},
{
"role": "assistant",
"content": "<think>\n1.... | [] | [] | {
"subject": "Biology",
"task_type": "Protein antibody binding site prediction",
"language": "en",
"turns": 1,
"label": {
"type": "prot_cla",
"value": [
7,
8,
9,
10,
16,
23,
25,
26,
27,
28,
29,
32,
45,
46,
52,
... |
1FQQMH | [
{
"role": "user",
"content": "Generate an image of a timeline showing artificial intelligence development from 1943 to 2024 with key neural network milestones."
},
{
"role": "assistant",
"content": "<think>\nI will start by setting up a clean, infographic-style layout with a light background to ... | [] | [] | {
"subject": "CS",
"task_type": "Image generation",
"language": "en",
"turns": 1,
"label": {
"type": "image_gen",
"value": [
"assets/sci_gen/1984541329811218433_en_simple_medium.png"
]
}
} |
L3Y7H7 | [
{
"role": "user",
"content": "Protein-site prediction problem:\n Predict residues in protein <PROT>HHGSSVFHNWLLEIACENYFVYIKRLSANDTGATGGHQVGLYIPSGIVEKLFPSINHTRELNPSVFLTAHVSSHDCPDSEARAIYYNSRHFGKTRNEKRITRWGRGSPLQDPENTGALTLLAFKLDEQGGDCKEVNIWVCASTDEEDVIETAIGEVIPGALISGPAGQILGGL</PROT> that stabilize protei... | [] | [] | {
"subject": "Biology",
"task_type": "Protein DNA binding site prediction",
"language": "en",
"turns": 1,
"label": {
"type": "prot_cla",
"value": [
24,
27,
28,
29,
34,
36,
37,
38,
39,
42,
62,
82,
86,
93,
94,
... |
7M8CJV | [
{
"role": "user",
"content": "<image>Please perform stain translation from H&E to IHC on this breast histopathology image."
},
{
"role": "assistant",
"content": "<think>\nLooking at this slide, I need to convert the standard H&E staining into a specific immunohistochemical representation while m... | [
"assets/sci_edit/HE_00909_train_2+.png"
] | [] | {
"subject": "Medicine",
"task_type": "Breast pathology HE-to-IHC image translation",
"language": "en",
"turns": 1,
"label": {
"type": "image_edit",
"value": [
"assets/sci_edit/IHC_00909_train_2+.png"
]
}
} |
IILOKC | [
{
"role": "user",
"content": "<file>\n<image>\nPlease predict the possible molecular structure based on the given infrared spectrum."
},
{
"role": "assistant",
"content": "<think>\nThe user needs me to predict the possible molecular structure based on the given infrared spectrum; I will first an... | [
"assets/spectra_images/060328_ir.png"
] | [
"assets/spectra_jdx/060328_ir.jdx"
] | {
"subject": "Chemistry",
"task_type": "IR spectrum molecular structure generation",
"language": "en",
"turns": 1,
"label": {
"type": "spectra_st",
"value": "assets/spectra_sdf/060328_mol.sdf"
}
} |
4YE0Q8 | [
{
"role": "user",
"content": "Protein-site prediction problem:\n In antigen <PROT>TNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPK</PROT>, which amino ac... | [] | [] | {
"subject": "Biology",
"task_type": "Protein epitope prediction",
"language": "en",
"turns": 1,
"label": {
"type": "prot_cla",
"value": [
11,
12,
13,
15,
17,
19,
21,
22,
25,
36,
37,
38,
39,
40,
42,
43,
... |
RVYQTE | [
{
"role": "user",
"content": "请画一张化学链双流化床系统的科学原理示意图，采用清晰的矢量插画风格，背景保持纯白色。画面中央并排设置两个垂直的流化床反应器，外部上方绘制太阳能聚光镜阵列提供加热输入，光线用黄色箭头表示。左侧反应器底部标注生物质原料入口，顶部出口处明确标记 CO2 和 H2O 字样，气体用灰色云团表示。右侧反应器底部标注水原料入口，顶部出口处明确标记氢气字样，气体用浅蓝色云团表示，整体布局对称，颜色使用科技蓝与工业灰，线条清晰，突出能量流动与物质转化路径。"
},
{
"role": "assistant",
"content": "<thin... | [] | [] | {
"subject": "Chemistry",
"task_type": "Chemistry research illustration generation",
"language": "zh",
"turns": 1,
"label": {
"type": "image_gen",
"value": [
"assets/sci_gen/1979457981638557697_zh_detailed_medium.png"
]
}
} |
YVZMZC | [
{
"role": "user",
"content": "Taking the role of an experienced teacher who is explaining a pharmacological study to a classroom of students, and speaking as a scientist myself, I would like to carefully examine the biomedical text that has been provided. The text is: BACKGROUND: Although intravitreal amino... | [] | [] | {
"subject": "Biology",
"task_type": "Chemistry-protein relation extraction",
"language": "en",
"turns": 1,
"label": null
} |
S3JKV0 | [
{
"role": "user",
"content": "What is the role of mosquito in the transmission of malaria and how does the parasite complete its life cycle within the human body?"
},
{
"role": "assistant",
"content": "<think>\nWe need to answer: \"What is the role of mosquito in the transmission of malaria and ... | [] | [] | {
"subject": "Biology",
"task_type": "Biochemistry open-ended QA",
"language": "en",
"turns": 1,
"label": null
} |
O6G9ZX | [
{
"role": "user",
"content": "Protein-site prediction problem:\n Locate potential RNA-interaction hotspots on protein sequence <PROT>KLNHAVFIVITPSAIAEKYKVNLSVARAVINHLADSQKLYT</PROT>."
},
{
"role": "assistant",
"content": "<think>\nThe user wants me to predict potential RNA-interaction hot... | [] | [] | {
"subject": "Biology",
"task_type": "Protein RNA binding site prediction",
"language": "en",
"turns": 1,
"label": {
"type": "prot_cla",
"value": [
2,
22,
23,
27,
36
]
}
} |
B89DQB | [
{
"role": "user",
"content": "<file>\n<image>\n请你基于这张红外谱图预测可能的分子smiles"
},
{
"role": "assistant",
"content": "<think>\n用户需要我基于给出的红外谱图预测可能的分子smiles，我先做红外谱图的分析\n观察光谱图，首先在高频区 3498.0 cm⁻¹ 处观察到一个极其尖锐且归一化强度接近 1.0 的强吸收峰。该峰形非常狭窄，半峰宽很小，不具备醇羟基或羧酸羟基典型的宽峰特征（通常由强氢键引起），这更符合游离状态或分子内氢键较弱的 N-H 伸缩振动特征，提示分子中可能存在仲胺... | [
"assets/spectra_images/128887_ir.png"
] | [
"assets/spectra_jdx/128887_ir.jdx"
] | {
"subject": "Chemistry",
"task_type": "IR spectrum to SMILES prediction",
"language": "zh",
"turns": 1,
"label": null
} |
PU8GIU | [
{
"role": "user",
"content": "请估计 <SMILES>CC1(C)CO1</SMILES> 的最高占据分子轨道能量，单位为 eV。这是计算得到的前线轨道能量，不是实验电离能。"
},
{
"role": "assistant",
"content": "<think>\n首先，从输入的 SMILES 结构 CC1(C)CO1 可以解析出一个含有三元含氧杂环的饱和脂肪族分子，即 2,2-二甲基环氧乙烷。该分子骨架由一个环氧乙烷三元环构成，且环上的同一个碳原子连接了两个甲基取代基。整个分子完全由 σ 键和氧原子的孤对电子组成，不存在任何 π 共轭体系或芳香性结... | [] | [] | {
"subject": "Chemistry",
"task_type": "Molecular HOMO energy prediction",
"language": "zh",
"turns": 1,
"label": {
"type": "linear_pre",
"value": -0.2596
}
} |
5OIBGD | [
{
"role": "user",
"content": "MMEPEEYRERGREMVDYICQYLSTVRERRVTPDVQPGYLRAQLPESAPEDPDSWDSIFGDIERIIMPGVVHWQSPHMHAYYPALTSWPSLLGDMLADAINCLGFTWASSPACTELEMNVMDWLAKMLGLPEHFLHHHPSSQGGGVLQSTVSESTLIALLAARKNKILEMKTSEPDADESCLNARLVAYASDQAHSSVEKAGLISLVKMKFLPVDDNFSLRGEALQKAIEEDKQRGLVPVFVCATLGTTGVCAFDCLSELGPICAREGLWLHIDAAYAG... | [] | [] | {
"subject": "Biology",
"task_type": "Pre-structure-modeling protein function description",
"language": "en",
"turns": 1,
"label": null
} |
0NEQSI | [
{
"role": "user",
"content": "请绘制一张半导体激光器逆向设计的专业科研流程图，画面主体由多个逻辑模块方框通过箭头自上而下连接而成，清晰展示从性能目标设定到结构参数优化的闭环过程。配色采用科技蓝与深灰色调搭配白色背景，风格为扁平化矢量学术插图，确保线条清晰锐利且布局疏密有致。图中需体现仿真模拟与实验验证的反馈路径，整体呈现严谨理性的工程可视化效果，无多余装饰元素干扰主体信息。"
},
{
"role": "assistant",
"content": "<think>\n好，我先定个大调子，这张图得是专业的科研流程图，整体采用科技蓝和深灰色搭配白色背景，风格... | [] | [] | {
"subject": "Physics",
"task_type": "Physics research illustration generation",
"language": "zh",
"turns": 1,
"label": {
"type": "image_gen",
"value": [
"assets/sci_gen/1978343000975085569_zh_detailed_medium.png"
]
}
} |
L9CYMT | [
{
"role": "user",
"content": "萘普生分子失去其羧基上的一个质子后形成的阴离子是什么？这个阴离子是萘普生的共轭碱，请给出它的SMILES表示。"
},
{
"role": "assistant",
"content": "<think>\n萘普生是一种常用的非甾体抗炎药，其化学名为(S)-6-甲氧基-α-甲基-2-萘乙酸。分子中含有一个萘环骨架，6位有一个甲氧基，2位有一个α-甲基乙酸侧链，手性中心为S构型。当羧基失去质子后，形成羧酸根阴离子——这正是萘普生的共轭碱。\n\n这个阴离子的结构可以这样构建：萘环是核心骨架，甲氧基在6位，侧链在2位。从甲氧基所在... | [] | [] | {
"subject": "Chemistry",
"task_type": "Molecular structure description",
"language": "zh",
"turns": 1,
"label": null
} |
8ACJJ0 | [
{
"role": "user",
"content": "请估计 <SMILES>Nc1ccoc1</SMILES> 在 298.15 K 下的气相定容热容 Cv，单位为 cal/(mol*K)。这是热力学热容数值，不是反应焓或自由能。"
},
{
"role": "assistant",
"content": "<think>\n首先，解析输入的 SMILES 结构 Nc1ccoc1，该分子对应 2-氨基呋喃。其核心骨架为一个包含氧原子的五元杂环，具有典型的芳香共轭特征，同时在环的 2 号碳原子上连接了一个氨基取代基。从原子组成来看，分子式为 C4H5NO，总共包含 10 个原子，... | [] | [] | {
"subject": "Chemistry",
"task_type": "Molecular isochoric heat capacity prediction",
"language": "zh",
"turns": 1,
"label": {
"type": "linear_pre",
"value": 19.259
}
} |
6NOV34 | [
{
"role": "user",
"content": "请绘制一张血栓导致心脏心肌梗死的示意图，不要文字标注。"
},
{
"role": "assistant",
"content": "<think>\n我打算先从左边的大心脏开始画，把主动脉和上下腔静脉的位置定好，颜色上用鲜红色代表动脉血，深蓝色代表静脉血，心肌表面要画出冠状动脉的走向。既然用户特别强调了不要文字标注，那我这里就不会写任何文字标签，连引线说明都不加，全靠图形本身来表达。我会用白色的虚线从心脏表面的一条冠状动脉引出来，连接到右边的细节放大图，这样观众自然能明白这是在看血管内部的情况。\n\n右边我计划分成三组对比... | [] | [] | {
"subject": "Medicine",
"task_type": "Medical research illustration generation",
"language": "zh",
"turns": 1,
"label": {
"type": "image_gen",
"value": [
"assets/sci_gen/1979941166455275521_zh_simple_medium.png"
]
}
} |
PFCFB8 | [
{
"role": "user",
"content": "Would <SMILES>CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1</SMILES> be classified as orally bioavailable? Oral bioavailability reflects whether an oral dose can effectively reach systemic circulation after absorption and first-pass processes."
},
{
"role": "assist... | [] | [] | {
"subject": "Chemistry",
"task_type": "Molecular oral bioavailability classification",
"language": "en",
"turns": 1,
"label": {
"type": "linear_cla",
"value": 1
}
} |
4RCH70 | [
{
"role": "user",
"content": "画一张分子性质预测图，含神经网络和三个挑战模块，用浅蓝线条和红色警示。"
},
{
"role": "assistant",
"content": "<think>\n我打算先定个整体框架，最上面居中写个大标题“分子性质预测”，然后用浅蓝色的圆角矩形把画面分成上下两大部分。上半部分主要是流程图，左边框里顶部写“分子输入”，下面画个化学结构式，旁边标上“HO”、“Cl”、“NH₂”，再往下写“表示方式”，接着列三个小项“图结构”、“指纹”、“3D构象”。中间那个框标题写“神经网络模型”，里面从左到右依次标“输入层”、“图/特征编... | [] | [] | {
"subject": "Chemistry",
"task_type": "Chemistry research illustration generation",
"language": "zh",
"turns": 1,
"label": {
"type": "image_gen",
"value": [
"assets/sci_gen/1987877552926015490_zh_simple_medium.png"
]
}
} |
311OR3 | [
{
"role": "user",
"content": "Visualize an infographic depicting common cognitive biases and their influence on decision-making."
},
{
"role": "assistant",
"content": "<think>\nI'll start by setting up a clean white canvas to keep the design professional and readable. At the very top, I'll place... | [] | [] | {
"subject": "CS",
"task_type": "Image editing",
"language": "en",
"turns": 3,
"label": {
"type": "image_edit",
"value": [
"assets/sci_multi/undergraduate_Sociology_39.jpg_turn1.png",
"assets/sci_multi/undergraduate_Sociology_39.jpg_turn1.png",
"assets/sci_multi/undergraduate_Sociolo... |
SF4332 | [
{
"role": "user",
"content": "Generate a scientific diagram illustrating the Lewis electron-dot structure of a water molecule with a central oxygen atom bonded to two hydrogen atoms. Arrange the atoms in a distinct bent geometry to reflect four electron domains around the oxygen, depicting single covalent b... | [] | [] | {
"subject": "Chemistry",
"task_type": "Chemistry research illustration generation",
"language": "en",
"turns": 3,
"label": {
"type": "image_edit",
"value": [
"assets/sci_multi/Chemistry_96__en__detailed_turn1.png",
"assets/sci_multi/Chemistry_96__en__detailed_turn2.png",
"assets/sci... |
R465XM | [
{
"role": "user",
"content": "<image>Apply a semi-transparent yellow overlay to delineate the solid rock matrix in this mudstone SEM image."
},
{
"role": "assistant",
"content": "<think>\nExamining this scan reveals the distinct contrast typical of mudstone where the solid mineral framework scat... | [
"assets/sci_edit/imgs_2D_3H_3_119_121_15_kx_03_crop_siltpores_renew_up_right_8.png"
] | [] | {
"subject": "Geography",
"task_type": "Rock SEM image segmentation",
"language": "en",
"turns": 1,
"label": {
"type": "image_edit",
"value": [
"assets/sci_edit/labels_yellow_2D_3H_3_119_121_15_kx_03_crop_siltpores_renew_up_right_8.png"
]
}
} |
GIBA5Q | [
{
"role": "user",
"content": "<file>\n<image>\nPlease predict the possible molecular SMILES based on this infrared spectrum."
},
{
"role": "assistant",
"content": "<think>\nThe user needs me to predict the possible molecular SMILES based on the given infrared spectrum; I will first analyse the i... | [
"assets/spectra_images/066259_ir.png"
] | [
"assets/spectra_jdx/066259_ir.jdx"
] | {
"subject": "Chemistry",
"task_type": "IR spectrum to SMILES prediction",
"language": "en",
"turns": 1,
"label": null
} |
0P9HJ4 | [
{
"role": "user",
"content": "Assess whether <SMILES>Cc1cccc(C)c1OC[C@H](C)N</SMILES> is likely to reach the high-absorption category for human intestinal absorption after oral dosing."
},
{
"role": "assistant",
"content": "<think>\nFirst, the structural analysis of the given SMILES reveals a re... | [] | [] | {
"subject": "Chemistry",
"task_type": "Molecular human intestinal absorption classification",
"language": "en",
"turns": 1,
"label": {
"type": "linear_cla",
"value": 1
}
} |
VIRZBG | [
{
"role": "user",
"content": "<CIF># generated using pymatgen\ndata_Mg6FeSb\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.849\n_cell_length_b 6.267\n_cell_length_c 10.529\n_cell_angle_alpha 90.000\n_cell_angle_beta 90.000\n_cell_angle_gamma 90.000\n_symmetry_Int_Tables_number 1.000... | [] | [] | {
"subject": "Materials",
"task_type": "Material crystal stability classification",
"language": "en",
"turns": 1,
"label": {
"type": "linear_cla",
"value": false
}
} |
ZOID71 | [
{
"role": "user",
"content": "Could you provide the SMILES representation for a molecule that belongs to the anti platelet class of molecules?"
},
{
"role": "assistant",
"content": "<think>\nAn antiplatelet molecule... anagrelide is a well-known antiplatelet agent, indicated for essential thromb... | [] | [] | {
"subject": "Chemistry",
"task_type": "Molecular design generation",
"language": "en",
"turns": 1,
"label": null
} |
OS5YSF | [
{
"role": "user",
"content": "<file>\n<file>\n<image>\n<image>\n请你基于给出的红外谱图和拉曼谱图，预测该分子可能的结构"
},
{
"role": "assistant",
"content": "<think>\n用户需要我基于给出的红外谱图和拉曼谱图预测可能的分子结构，我先做红外谱图和拉曼谱图的分析\n首先观察红外光谱图，在3000 cm⁻¹附近观察到一组复杂的强吸收带。具体来看，在略低于3000 cm⁻¹的区域（约2850-2980 cm⁻¹）存在强烈的吸收峰，这通常对应于饱和碳原子上的C-H伸缩振动。值得注意的是，... | [
"assets/spectra_images/116215_ir.png",
"assets/spectra_images/116215_raman.png"
] | [
"assets/spectra_jdx/116215_ir.jdx",
"assets/spectra_jdx/116215_raman.jdx"
] | {
"subject": "Chemistry",
"task_type": "IR spectrum molecular structure generation",
"language": "zh",
"turns": 1,
"label": {
"type": "spectra_st",
"value": "assets/spectra_sdf/116215_mol.sdf"
}
} |
XET7UV | [
{
"role": "user",
"content": "According to the provided CIF content:\n<CIF># generated using pymatgen\ndata_Bi2Sb2Te3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 14.279\n_cell_length_b 14.279\n_cell_length_c 14.279\n_cell_angle_alpha 17.889\n_cell_angle_beta 17.889\n_cell_angle_gamma ... | [] | [] | {
"subject": "Materials",
"task_type": "Material formation energy prediction",
"language": "en",
"turns": 1,
"label": {
"type": "linear_pre",
"value": -0.10202000000000001
}
} |
K1IYVS | [
{
"role": "user",
"content": "Predict the human intestinal absorption (HIA) percentage of <SMILES>CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1</SMILES>; HIA is the fraction of an orally administered compound absorbed through the intestine into systemic circulation."
},
{
"role": "assistant",
"content": "<thi... | [] | [] | {
"subject": "Chemistry",
"task_type": "Molecular human intestinal absorption classification",
"language": "en",
"turns": 1,
"label": {
"type": "linear_cla",
"value": 1
}
} |
W4Z6PI | [
{
"role": "user",
"content": "Protein-site prediction problem:\n Which amino acids in <PROT>MSHIQIPPGLTELLQGYTVEVLRQQPPDLVDFAVEYFTRLREARR</PROT> are likely to contribute to a protein–protein binding patch?"
},
{
"role": "assistant",
"content": "<think>\nThe user wants me to predict which ... | [] | [] | {
"subject": "Biology",
"task_type": "Protein PPI binding site prediction",
"language": "en",
"turns": 1,
"label": {
"type": "prot_cla",
"value": [
5,
6,
7,
8,
9,
10,
13,
14,
17,
18,
21,
22,
29,
30,
31,
33,... |
F9CXKW | [
{
"role": "user",
"content": "What elimination half-life (t1/2, hours) does the Obach approach estimate for <SMILES>CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC</SMILES>? Longer half-life generally indicates slower removal from the body."
},
{
"role": "assistant",
"content": "<think>\nFirst, the structural ... | [] | [] | {
"subject": "Chemistry",
"task_type": "Molecular half-life prediction",
"language": "en",
"turns": 1,
"label": {
"type": "linear_pre",
"value": 7.2
}
} |
VI8BBY | [
{
"role": "user",
"content": "What is the typical procedure for executing the reaction described by this SMILES: CC(C)(C)OC(=O)N1CCC(Cc2ccc(N)cc2)CC1.CCN(CC)CC.CS(=O)(=O)Cl>C1CCOC1>CC(C)(C)OC(=O)N1CCC(Cc2ccc(NS(C)(=O)=O)cc2)CC1?"
},
{
"role": "assistant",
"content": "<think>\nWe need to interpre... | [] | [] | {
"subject": "Chemistry",
"task_type": "Synthesis step/pathway description",
"language": "en",
"turns": 1,
"label": null
} |
GB7427 | [
{
"role": "user",
"content": "Render a futuristic miniature city constructed entirely from intelligent responsive polymers under a bright blue sky with fluffy white clouds. Depict building facades made of thermosensitive material clearly labeled \"LCST=32°C, Transparent Below Critical Temperature, Turbid Ab... | [] | [] | {
"subject": "Materials",
"task_type": "Materials research illustration generation",
"language": "en",
"turns": 1,
"label": {
"type": "image_gen",
"value": [
"assets/sci_gen/1978001738819497986_en_detailed_medium.png"
]
}
} |
EZR75I | [
{
"role": "user",
"content": "<SMILES>Nc1cnco1</SMILES> 的各向同性极化率 alpha 预计是多少？请以 Bohr^3 表示。"
},
{
"role": "assistant",
"content": "<think>\n首先，解析输入的 SMILES 结构 `Nc1cnco1` 可以确定该分子为 2-氨基恶唑。这是一个由碳、氢、氮、氧四种轻原子构成的五元芳香杂环体系，总原子数较少，属于典型的小分子范畴。其核心骨架为包含一个氧原子和一个氮原子的恶唑环，且在环的碳原子上连接了一个氨基取代基。分子内部存在一个完整的五元 π 共轭体系，... | [] | [] | {
"subject": "Chemistry",
"task_type": "Molecular isotropic polarizability prediction",
"language": "zh",
"turns": 1,
"label": {
"type": "linear_pre",
"value": 44.3
}
} |
051U3K | [
{
"role": "user",
"content": "<file>\n<image>\nPlease analyze the infrared spectrum given above and predict the functional groups that may be present."
},
{
"role": "assistant",
"content": "<think>\nFirst, I examine the high-wavenumber region to identify functional groups with hydrogen atoms. Th... | [
"assets/spectra_images/028308_ir.png"
] | [
"assets/spectra_jdx/028308_ir.jdx"
] | {
"subject": "Chemistry",
"task_type": "IR spectrum functional group identification",
"language": "en",
"turns": 1,
"label": null
} |
DV1RCV | [
{
"role": "user",
"content": "<image>Please generate the CT counterpart of this CBCT scan with enhanced image quality."
},
{
"role": "assistant",
"content": "<think>\nExamining this cross-sectional scan, I immediately recognize the characteristic circular field of view typical of cone-beam acqui... | [
"assets/sci_edit/source_2THA046_024.png"
] | [] | {
"subject": "Medicine",
"task_type": "CBCT-to-CT medical image translation",
"language": "en",
"turns": 1,
"label": {
"type": "image_edit",
"value": [
"assets/sci_edit/target_2THA046_024.png"
]
}
} |
XFIUO6 | [
{
"role": "user",
"content": "For <SMILES>c1nc[nH]n1</SMILES>, please predict its LUMO energy under the DFT/B3LYP/6-31G(2df,p) calculation setting, reported in eV."
},
{
"role": "assistant",
"content": "<think>\nFirst, the provided SMILES string corresponds to 1H-1,2,3-triazole, a five-membered ... | [] | [] | {
"subject": "Chemistry",
"task_type": "Molecular LUMO energy prediction",
"language": "en",
"turns": 1,
"label": {
"type": "linear_pre",
"value": 0.0059
}
} |
3RFE08 | [
{
"role": "user",
"content": "Protein-site prediction problem:\n Find the PPI-binding residues in sequence <PROT>NNYTSLIHSLIEESQNQQEKNEQELLELDKWASLWNWFN</PROT>."
},
{
"role": "assistant",
"content": "<think>\nThe user wants me to predict protein-protein interaction (PPI) binding residues ... | [] | [] | {
"subject": "Biology",
"task_type": "Protein PPI binding site prediction",
"language": "en",
"turns": 1,
"label": {
"type": "prot_cla",
"value": [
1,
3,
4,
7,
10,
11,
14,
15,
18,
22,
25,
26,
28,
29,
32,
33... |
631D3S | [
{
"role": "user",
"content": "这个化合物 O=C(O)c1ccccc1C(=O)OC1CCCCC1 是通过什么化学反应形成的？"
},
{
"role": "assistant",
"content": "<think>\n我们需要理解用户的问题：化合物 \"O=C(O)c1ccccc1C(=O)OC1CCCCC1\" 是通过什么化学反应形成的？这是一个SMILES字符串，表示邻苯二甲酸单环己酯（phthalic acid monocyclohexyl ester）？让我们解析这个SMILES。\n\nO=C(O)c1ccccc1C(=O)OC1CCCCC... | [] | [] | {
"subject": "Chemistry",
"task_type": "Retrosynthesis pathway analysis",
"language": "zh",
"turns": 1,
"label": null
} |
T820L0 | [
{
"role": "user",
"content": "<SMILES>Cc1cc(C(C)(C)C)cc(CNC2CCCCC2)c1O</SMILES> 是否可被归类为 CYP3A4 抑制剂？CYP3A4 抑制可能带来显著的药物相互作用风险。"
},
{
"role": "assistant",
"content": "<think>\n首先，从分子结构来看，该分子以取代苯环为核心骨架，其上连接了甲基、大位阻的叔丁基、酚羟基以及环己基甲胺基侧链。环己基甲胺基包含一个脂肪族仲胺和一个疏水的环己烷环。整体结构呈现出中等程度的脂溶性，叔丁基和环己基提供了显著的疏水体积，而酚羟基和仲胺则... | [] | [] | {
"subject": "Chemistry",
"task_type": "Molecular CYP3A4 inhibition classification",
"language": "zh",
"turns": 1,
"label": {
"type": "linear_cla",
"value": 0
}
} |
G9W0PA | [
{
"role": "user",
"content": "蛋白质位点预测问题：\n<PROT>DTLSMVTMGVLMALQLVISRFSVGNNFIKVSFTFLIVALIAKWFGPWWGMLTAAVVDVIGTLMTGGPFFIGFTVSAVLGSLIYAVFLYRQPVSWWRVIGASVLIALLVNTLLNTLWVTIMYQTPFWSLLPVRALKELIVTPVQIVLVYLLLKSQVIQMIQARLN</PROT> 的哪些残基最可能位于蛋白质 - 蛋白质界面？"
},
{
"role": "assistant",
"content": "<think>\n我需要预测... | [] | [] | {
"subject": "Biology",
"task_type": "Protein PPI binding site prediction",
"language": "zh",
"turns": 1,
"label": {
"type": "prot_cla",
"value": [
2,
3,
5,
6,
7,
8,
9,
10,
12,
13,
14,
16,
20,
21,
23,
32,
... |
44TFDV | [
{
"role": "user",
"content": "<file>\n<image>\nPlease predict the possible molecular SMILES based on this infrared spectrum."
},
{
"role": "assistant",
"content": "<think>\nThe user needs me to predict the possible molecular SMILES based on the given infrared spectrum; I will first analyse the i... | [
"assets/spectra_images/098590_ir.png"
] | [
"assets/spectra_jdx/098590_ir.jdx"
] | {
"subject": "Chemistry",
"task_type": "IR spectrum to SMILES prediction",
"language": "en",
"turns": 1,
"label": null
} |
STEHQ3 | [
{
"role": "user",
"content": "Please estimate the isotropic polarizability alpha of <SMILES>c1cn[nH]n1</SMILES> in Bohr^3. It describes the average response of the electron cloud to an external electric field, rather than a directional polarizability-tensor component."
},
{
"role": "assistant",
... | [] | [] | {
"subject": "Chemistry",
"task_type": "Molecular isotropic polarizability prediction",
"language": "en",
"turns": 1,
"label": {
"type": "linear_pre",
"value": 35.3
}
} |
JVCI6B | [
{
"role": "user",
"content": "Given the following crystal structure information:\n<CIF># generated using pymatgen\ndata_SrS\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.263\n_cell_length_b 4.263\n_cell_length_c 4.263\n_cell_angle_alpha 60.000\n_cell_angle_beta 60.000\n_cell_angle_gamm... | [] | [] | {
"subject": "Materials",
"task_type": "Material max electric field gradient prediction",
"language": "en",
"turns": 1,
"label": {
"type": "linear_pre",
"value": 0.002
}
} |
I1RXSU | [
{
"role": "user",
"content": "Draw a clear picture of the LaH10 crystal structure showing the hydrogen cage lattice framework."
},
{
"role": "assistant",
"content": "<think>\nI'll start by sketching the main cubic unit cell in the center of the canvas using thin black lines to define the boundar... | [] | [] | {
"subject": "Materials",
"task_type": "Materials research illustration generation",
"language": "en",
"turns": 1,
"label": {
"type": "image_gen",
"value": [
"assets/sci_gen/1989161716317880322_en_simple_medium.png"
]
}
} |
VOC209 | [
{
"role": "user",
"content": "Protein-site prediction problem:\n Locate potential RNA-interaction hotspots on protein sequence <PROT>MKRTFQPSVLKRNRSHGFRARMATKNGRQVLARRRAKGRARLTVSK</PROT>."
},
{
"role": "assistant",
"content": "<think>\nThe user wants me to predict potential RNA-interactio... | [] | [] | {
"subject": "Biology",
"task_type": "Protein RNA binding site prediction",
"language": "en",
"turns": 1,
"label": {
"type": "prot_cla",
"value": [
1,
2,
3,
4,
5,
6,
8,
9,
10,
11,
12,
15,
16,
17,
18,
19,
... |
7MCWH3 | [
{
"role": "user",
"content": "Given the following crystal structure information:\n<CIF># generated using pymatgen\ndata_Na4CdP2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 9.050\n_cell_length_b 9.050\n_cell_length_c 9.050\n_cell_angle_alpha 32.027\n_cell_angle_beta 32.027\n_cell_angle_... | [] | [] | {
"subject": "Materials",
"task_type": "Material spillage metric prediction",
"language": "en",
"turns": 1,
"label": {
"type": "linear_pre",
"value": 0.003
}
} |
OTOVS6 | [
{
"role": "user",
"content": "蛋白质位点预测问题：\n <PROT>SAQKAPKWYPSEDVAALKKTRKAARPQKLRASLVPGTVLILLAGRFRGKRVVYLKHLEDNTLLISGPFKVNGVPLRRVNARYVIATSTKVSVEGVNVEKFNVEYFAKEEIKAERVEDQKVVDKALIAEIKKTPLLKQYLSASFSLKNGDKPHMLKF</PROT> 中的哪些氨基酸可能有助于形成蛋白质 - 蛋白质结合斑？"
},
{
"role": "assistant",
"content": "<think>\n... | [] | [] | {
"subject": "Biology",
"task_type": "Protein PPI binding site prediction",
"language": "zh",
"turns": 1,
"label": {
"type": "prot_cla",
"value": [
1,
2,
3,
5,
6,
9,
10,
11,
12,
14,
30,
32,
40,
42,
43,
47,
... |
G9KJK0 | [
{
"role": "user",
"content": "Protein-site prediction problem:\n Determine which residues of antigen <PROT>DNTTVFTRILDRLLDGYDNRLRPGLGERVTEVKTDIFVTSFGPVSDHDMEYTIDVFFRQSWKDERLKFKGPMTVLRLNNLMASKIWTPDTFFHNGKKSVAHNMTMPNKLLRITEDGTLLYTMRLTVRAECPMHLEDFPMDAHACPLKFGSYAYTRAEVVYEWTREPARSVVVAEDGSRLNQYDLLGQTVDSGIV... | [] | [] | {
"subject": "Biology",
"task_type": "Protein epitope prediction",
"language": "en",
"turns": 1,
"label": {
"type": "prot_cla",
"value": [
33,
62,
115,
161,
162,
163,
164,
165,
166,
167,
168,
187,
188,
189,
190,
... |
PPDN2L | [
{
"role": "user",
"content": "Provide the VDss value of <SMILES>CC(C)[NH2+]CC(O)c1ccc(O)c(O)c1</SMILES> in L/kg, where this metric reflects the extent of tissue distribution relative to plasma."
},
{
"role": "assistant",
"content": "<think>\nFirst, the SMILES string CC(C)[NH2+]CC(O)c1ccc(O)c(O)c... | [] | [] | {
"subject": "Chemistry",
"task_type": "Molecular steady-state volume of distribution prediction",
"language": "en",
"turns": 1,
"label": {
"type": "linear_pre",
"value": 1.5
}
} |
T2LHPA | [
{
"role": "user",
"content": "蛋白质位点预测问题：\n预测蛋白质<PROT>MKKYTCTVCAYIYNPEDGDPDNGVNPGTDFKDIPDDWVCPLCGVGKDQFEEVEE</PROT>中与金属离子<SMILES>[Fe+3]</SMILES>相互作用的残基。"
},
{
"role": "assistant",
"content": "<think>\n我需要预测蛋白质序列中哪些残基与 Fe3+（铁 (III) 离子）相互作用。\n\n蛋白质序列为：\nMKKYTCTVCAYIYNPEDGDPDNGVNPGTDFKDIPDDWVCPLCGVG... | [] | [] | {
"subject": "Biology",
"task_type": "Protein metal binding site prediction",
"language": "zh",
"turns": 1,
"label": {
"type": "prot_cla",
"value": [
6,
9,
39,
42
]
}
} |
3EAC07 | [
{
"role": "user",
"content": "Protein-site prediction problem:\n Predict the key contact residues in <PROT>ISGDSVSSNSAAWRTYYRSKWFNDARGIVFSYAMDVWGSCTRSSGSIASYYVQWYIYEDSQRPSGVYCQSYDSSNVVFG</PROT> that drive antibody recognition of antigens."
},
{
"role": "assistant",
"content": "<think>\nTh... | [] | [] | {
"subject": "Biology",
"task_type": "Protein antibody binding site prediction",
"language": "en",
"turns": 1,
"label": {
"type": "prot_cla",
"value": [
14,
16,
18,
19,
20,
22,
24,
29,
30,
32,
48,
49,
50,
51,
58,... |
Y0VDVE | [
{
"role": "user",
"content": "MAAPILKDVVAYVEVWSSNGTENYSKTFTTQLVDMGAKVSKTFNKQVTHVIFKDGYQSTWDKAQKRGVKLVSVLWVEKCRTAGAHIDESLFPAANMNEHLSSLIKKKRKCMQPKDFNFKTPENDKRFQKKFEKMAKELQRQKTNLDDDVPILLFESNGSLIYTPTIEINSRHHSAMEKRLQEMKEKRENLSPTSSQMIQQSHDNPSNSLCEAPLNISRDTLCSDEYFAGGLHSSFDDLCGNSGCGNQERKLEGSINDIKSDVCISSLVLKANNIHSSP... | [] | [] | {
"subject": "Biology",
"task_type": "Antibody-antigen binding relation (binary)",
"language": "en",
"turns": 1,
"label": null
} |
DQHDK3 | [
{
"role": "user",
"content": "MFSHLPFDCVLLLLLLLLTRSSEVEYRAEVGQNAYLPCFYTPAAPGNLVPVCWGKGACPVFECGNVVLRTDERDVNYWTSRYWLNGDFRKGDVSLTIENVTLADSGIYCCRIQIPGIMNDEKFNLKLVIKPAKVTPAPTRQRDFTAAFPRMLTTRGHGPAETQTLGSLPDINLTQISTLANELRDSRLANDLRDSGATIRIGIYIGAGICAGLALALIFGALIFKWYSHSKEKIQNLSLISLANLPPSGLANAVAEGIRSEENIYTIEENVYEVEEPN... | [] | [] | {
"subject": "Biology",
"task_type": "Protein subcellular localization prediction",
"language": "en",
"turns": 1,
"label": null
} |
EDUGPP | [
{
"role": "user",
"content": "分子 <SMILES>CCC(O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1</SMILES> 是否被认为具有血脑屏障渗透性？"
},
{
"role": "assistant",
"content": "<think>\n首先，对该分子的SMILES字符串进行结构解析。该分子以一个季碳原子为核心，连接着两个苯环、一个含羟基的丙基侧链以及一个含叔胺基团的烷基侧链。整体骨架呈现出明显的疏水特征，两个芳香环构成了较强的脂溶性主干，而侧链中的羟基与叔胺则引入了有限的极性位点。在生理pH条件下，叔胺基团... | [] | [] | {
"subject": "Chemistry",
"task_type": "Molecular BBB permeability classification",
"language": "zh",
"turns": 1,
"label": {
"type": "linear_cla",
"value": 1
}
} |
4JXFPK | [
{
"role": "user",
"content": "Which reactants could give the product [C][C][C][=Branch1][C][=O][N][C][C][O][C][=N][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][O][C][Ring1][=Branch2][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1][C][=C][C][=C][Bra... | [] | [] | {
"subject": "Biology",
"task_type": "Chemistry-protein relation extraction",
"language": "en",
"turns": 1,
"label": null
} |
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