id	sid	tid	token	lemma	pos
05741r69d62	1	1	recent	recent	ADJ
05741r69d62	1	2	advances	advance	NOUN
05741r69d62	1	3	in	in	ADP
05741r69d62	1	4	artificial	artificial	ADJ
05741r69d62	1	5	intelligence	intelligence	NOUN
05741r69d62	1	6	have	have	AUX
05741r69d62	1	7	propelled	propel	VERB
05741r69d62	1	8	the	the	DET
05741r69d62	1	9	development	development	NOUN
05741r69d62	1	10	of	of	ADP
05741r69d62	1	11	innovative	innovative	ADJ
05741r69d62	1	12	computational	computational	ADJ
05741r69d62	1	13	materials	material	NOUN
05741r69d62	1	14	modeling	modeling	NOUN
05741r69d62	1	15	and	and	CCONJ
05741r69d62	1	16	design	design	NOUN
05741r69d62	1	17	techniques	technique	NOUN
05741r69d62	1	18	.	.	PUNCT
05741r69d62	2	1	generative	generative	ADJ
05741r69d62	2	2	deep	deep	ADJ
05741r69d62	2	3	learning	learning	NOUN
05741r69d62	2	4	models	model	NOUN
05741r69d62	2	5	have	have	AUX
05741r69d62	2	6	been	be	AUX
05741r69d62	2	7	used	use	VERB
05741r69d62	2	8	for	for	ADP
05741r69d62	2	9	molecular	molecular	ADJ
05741r69d62	2	10	representation	representation	NOUN
05741r69d62	2	11	,	,	PUNCT
05741r69d62	2	12	discovery	discovery	NOUN
05741r69d62	2	13	,	,	PUNCT
05741r69d62	2	14	and	and	CCONJ
05741r69d62	2	15	design	design	NOUN
05741r69d62	2	16	.	.	PUNCT
05741r69d62	3	1	in	in	ADP
05741r69d62	3	2	this	this	DET
05741r69d62	3	3	work	work	NOUN
05741r69d62	3	4	,	,	PUNCT
05741r69d62	3	5	we	we	PRON
05741r69d62	3	6	assess	assess	VERB
05741r69d62	3	7	the	the	DET
05741r69d62	3	8	predictive	predictive	ADJ
05741r69d62	3	9	capabilities	capability	NOUN
05741r69d62	3	10	of	of	ADP
05741r69d62	3	11	a	a	DET
05741r69d62	3	12	molecular	molecular	ADJ
05741r69d62	3	13	generative	generative	ADJ
05741r69d62	3	14	model	model	NOUN
05741r69d62	3	15	developed	develop	VERB
05741r69d62	3	16	based	base	VERB
05741r69d62	3	17	on	on	ADP
05741r69d62	3	18	variational	variational	ADJ
05741r69d62	3	19	inference	inference	NOUN
05741r69d62	3	20	and	and	CCONJ
05741r69d62	3	21	graph	graph	NOUN
05741r69d62	3	22	theory	theory	NOUN
05741r69d62	3	23	in	in	ADP
05741r69d62	3	24	the	the	DET
05741r69d62	3	25	small	small	ADJ
05741r69d62	3	26	data	datum	NOUN
05741r69d62	3	27	regime	regime	NOUN
05741r69d62	3	28	.	.	PUNCT
05741r69d62	4	1	physical	physical	ADJ
05741r69d62	4	2	constraints	constraint	NOUN
05741r69d62	4	3	that	that	PRON
05741r69d62	4	4	encourage	encourage	VERB
05741r69d62	4	5	energetically	energetically	ADV
05741r69d62	4	6	stable	stable	ADJ
05741r69d62	4	7	molecules	molecule	NOUN
05741r69d62	4	8	are	be	AUX
05741r69d62	4	9	proposed	propose	VERB
05741r69d62	4	10	.	.	PUNCT
05741r69d62	5	1	the	the	DET
05741r69d62	5	2	encoding	encoding	NOUN
05741r69d62	5	3	network	network	NOUN
05741r69d62	5	4	is	be	AUX
05741r69d62	5	5	based	base	VERB
05741r69d62	5	6	on	on	ADP
05741r69d62	5	7	the	the	DET
05741r69d62	5	8	scattering	scattering	NOUN
05741r69d62	5	9	transform	transform	NOUN
05741r69d62	5	10	with	with	ADP
05741r69d62	5	11	adaptive	adaptive	ADJ
05741r69d62	5	12	spectral	spectral	ADJ
05741r69d62	5	13	filters	filter	NOUN
05741r69d62	5	14	to	to	PART
05741r69d62	5	15	allow	allow	VERB
05741r69d62	5	16	for	for	ADP
05741r69d62	5	17	better	well	ADJ
05741r69d62	5	18	generalization	generalization	NOUN
05741r69d62	5	19	of	of	ADP
05741r69d62	5	20	the	the	DET
05741r69d62	5	21	model	model	NOUN
05741r69d62	5	22	.	.	PUNCT
05741r69d62	6	1	the	the	DET
05741r69d62	6	2	decoding	decode	VERB
05741r69d62	6	3	network	network	NOUN
05741r69d62	6	4	is	be	AUX
05741r69d62	6	5	a	a	DET
05741r69d62	6	6	one	one	NUM
05741r69d62	6	7	-	-	PUNCT
05741r69d62	6	8	shot	shot	NOUN
05741r69d62	6	9	graph	graph	NOUN
05741r69d62	6	10	generative	generative	ADJ
05741r69d62	6	11	model	model	NOUN
05741r69d62	6	12	that	that	PRON
05741r69d62	6	13	conditions	condition	VERB
05741r69d62	6	14	atom	atom	NOUN
05741r69d62	6	15	types	type	NOUN
05741r69d62	6	16	on	on	ADP
05741r69d62	6	17	molecular	molecular	ADJ
05741r69d62	6	18	topology	topology	NOUN
05741r69d62	6	19	.	.	PUNCT
05741r69d62	7	1	a	a	DET
05741r69d62	7	2	bayesian	bayesian	ADJ
05741r69d62	7	3	formalism	formalism	NOUN
05741r69d62	7	4	is	be	AUX
05741r69d62	7	5	considered	consider	VERB
05741r69d62	7	6	to	to	PART
05741r69d62	7	7	capture	capture	VERB
05741r69d62	7	8	uncertainties	uncertainty	NOUN
05741r69d62	7	9	in	in	ADP
05741r69d62	7	10	the	the	DET
05741r69d62	7	11	predictive	predictive	ADJ
05741r69d62	7	12	estimates	estimate	NOUN
05741r69d62	7	13	of	of	ADP
05741r69d62	7	14	molecular	molecular	ADJ
05741r69d62	7	15	properties	property	NOUN
05741r69d62	7	16	.	.	PUNCT
05741r69d62	8	1	the	the	DET
05741r69d62	8	2	model	model	NOUN
05741r69d62	8	3	's	's	PART
05741r69d62	8	4	performance	performance	NOUN
05741r69d62	8	5	is	be	AUX
05741r69d62	8	6	evaluated	evaluate	VERB
05741r69d62	8	7	by	by	ADP
05741r69d62	8	8	generating	generate	VERB
05741r69d62	8	9	molecules	molecule	NOUN
05741r69d62	8	10	with	with	ADP
05741r69d62	8	11	desired	desire	VERB
05741r69d62	8	12	target	target	NOUN
05741r69d62	8	13	properties	property	NOUN
05741r69d62	8	14	.	.	PUNCT