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| Name | Last modified | Size | Description |
|---|---|---|---|---|
| Parent Directory | - | ||
| pdbppis.tgz | 2018-02-12 14:34 | 9.1G | |
| dude_xdocked_actives.tgz | 2018-05-09 12:25 | 8.6G | |
| general.tgz | 2018-04-08 23:00 | 7.3G | |
| imputout.tgz | 2024-02-08 14:50 | 7.0G | |
| docked_dude.tar | 2017-07-25 08:48 | 5.0G | |
| vssdata.tgz | 2022-11-09 09:07 | 3.1G | |
| dkoes_equibind.tar.gz | 2022-02-25 15:50 | 3.1G | |
| gnina_1.3 | 2024-10-03 18:53 | 1.2G | |
| pubchem_noiso.smi.gz | 2021-03-22 10:00 | 933M | |
| Hospital_Inpatient_Discharges__SPARCS_De-Identified___2014.csv | 2017-11-06 22:19 | 908M | |
| gan_data.tgz | 2020-11-17 16:37 | 617M | |
| refined.tgz | 2018-01-29 10:34 | 538M | |
| refined_crystal.tgz | 2019-09-30 13:23 | 501M | |
| cod.tgz | 2023-06-23 14:29 | 487M | |
| pubchem_simplified.smi.gz | 2021-03-31 19:07 | 425M | |
| ochem_recitation.m4v | 2020-03-05 14:23 | 391M | |
| cen.tgz | 2021-09-23 09:57 | 312M | |
| Generative_ACSF18.m4v | 2018-08-20 14:09 | 303M | |
| train6_CVAE2_0_p0_4.0_4.0_k200_d_1.6_r0_n_4.0_65_iter_1000000.gen_model_state | 2021-11-30 13:59 | 205M | |
| rfnn_dude_scores.tgz | 2021-03-02 09:21 | 179M | |
| cod.sdf.gz | 2022-02-14 20:01 | 173M | |
| CASP_2018.m4v | 2018-12-02 09:31 | 138M | |
| HS_Drug_Discovery.key | 2021-01-15 15:23 | 117M | |
| eye6.mp4 | 2019-10-02 22:28 | 111M | |
| ACS_densenet_poster.pdf | 2018-04-27 14:34 | 110M | |
| ISP_2018.pdf | 2018-10-19 16:08 | 110M | |
| Hospital_Inpatient_Discharges__SPARCS_De-Identified___2014.csv.gz | 2017-11-06 22:19 | 109M | |
| csardata.tgz | 2018-01-28 06:43 | 84M | |
| liyeny2.tar | 2023-01-13 15:15 | 83M | |
| pharmit.mov | 2016-03-15 14:53 | 79M | |
| Deep_SBDD.pdf | 2022-03-25 15:18 | 73M | |
| RSCAI_2019.pdf | 2019-09-03 09:00 | 73M | |
| DDIP_Boston_2019.pdf | 2019-05-22 14:44 | 67M | |
| p7_1.mp4 | 2022-10-27 11:35 | 64M | |
| comp_drug_discovery_lecture_spring_2018.ppt | 2021-02-01 13:05 | 61M | |
| dkoes_D3R_2018.tgz | 2018-02-22 11:54 | 60M | |
| it2_tt_0_lowrmsd_mols_train0.types | 2021-12-08 11:00 | 60M | |
| it2_tt_0_lowrmsd_mols_train0_fixed.types | 2021-12-21 12:19 | 60M | |
| SMD-1.mov | 2022-10-27 10:25 | 59M | |
| Big_Ideas_in_CS_2022.pdf | 2022-02-12 13:41 | 58M | |
| computational_drug_discovery_lecture_Fall_2018.pdf | 2018-11-06 10:24 | 53M | |
| CNN_Scoring_ACS_August_2017.pdf | 2017-08-24 13:06 | 45M | |
| CNN Scoring GTC 2017.pdf | 2017-05-18 15:30 | 43M | |
| Vizualization_talk_totally_not_from_GRC_2019.pdf | 2019-07-17 20:48 | 42M | |
| compounds.fp | 2022-01-31 13:36 | 42M | |
| cnnviz.tgz | 2018-06-07 18:15 | 39M | |
| defaultCNN_litpcba.tar.gz | 2021-03-11 16:14 | 37M | |
| dkoes_computational_drug_discovery_lecture_Spring_2019.key.pdf | 2019-04-10 19:41 | 36M | |
| visualizing-convolutional-neural.pdf | 2018-12-03 17:05 | 34M | |
| on_the_cheap.pdf | 2021-11-15 09:18 | 32M | |
| Koes_computational_drug_discovery_2370_Spring_2020.pdf | 2020-04-12 22:06 | 32M | |
| Free_Energy_2018.pdf | 2018-05-16 17:07 | 30M | |
| Generative_ACSF18.pdf | 2018-08-20 14:06 | 29M | |
| comp_drug_discovery_F2017.pdf | 2017-11-14 10:47 | 29M | |
| it2_tt_0_lowrmsd_mols_test0.types | 2021-12-08 11:00 | 29M | |
| it2_tt_0_lowrmsd_mols_test0_fixed.types | 2021-12-21 12:19 | 29M | |
| GTC_2018.pdf | 2018-03-26 14:25 | 28M | |
| dkoes_NCATS_2019.pdf | 2019-10-28 12:07 | 28M | |
| CNN_Scoring_Novartis_June_2017.pdf | 2017-06-25 20:58 | 27M | |
| rfnn_muv_scores.tgz | 2021-03-04 16:22 | 26M | |
| SMD-1.mp4 | 2022-10-27 11:28 | 25M | |
| ACS_Spring_2018.pdf | 2018-03-19 15:01 | 25M | |
| dkoes_guest_lecture_02_712.pdf | 2017-10-05 17:33 | 25M | |
| computational_drug_discovery_BIOSC1540_Spring_2018.pdf | 2018-04-10 11:19 | 24M | |
| CNN_Scoring_GTC_2017.pdf | 2017-05-08 17:37 | 24M | |
| defaultCNN_dude.tar.gz | 2021-03-04 16:32 | 24M | |
| dkoes_D3R_2018.pdf | 2018-02-22 11:20 | 23M | |
| D3R2016_dkoes.pdf | 2016-03-11 13:55 | 23M | |
| gz_2010_us_050_00_500k.json | 2017-12-28 16:12 | 22M | |
| HS_Drug_Discovery.pdf | 2021-01-15 15:23 | 22M | |
| gnina2018_poster.pdf | 2018-08-20 23:01 | 22M | |
| TECBio_Structure_2020.pdf | 2020-06-02 11:46 | 22M | |
| TechBio_Structure_2018.pdf | 2018-05-24 11:44 | 21M | |
| example_train.sdf.gz | 2022-03-30 10:43 | 21M | |
| ddiboston2019.pdf | 2019-05-20 20:07 | 21M | |
| computational_drug_discovery_BIOSC1540_Fall_2017.pdf | 2017-11-19 15:08 | 21M | |
| NeurIPS 2020 MLSB talk.mp4 | 2020-11-14 18:24 | 19M | |
| MD2NMR_ACS2017.pdf | 2017-08-23 11:00 | 19M | |
| MD2NMR_ACS2016.key.pdf | 2016-03-24 11:41 | 19M | |
| Christine2014-PGAM.pdf | 2017-01-22 17:25 | 15M | |
| passtry.txt | 2018-05-12 18:44 | 15M | |
| eye6.webm | 2019-10-02 22:28 | 13M | |
| eye6.mpeg | 2019-10-02 22:28 | 13M | |
| CNN_SaM_2017.pdf | 2017-03-01 11:17 | 13M | |
| Koes Group Research Overview ISP 2019.pdf | 2019-09-17 22:55 | 13M | |
| Koes_Research_Overview_2020.mp4 | 2020-07-31 17:59 | 12M | |
| pharmit_ACSSanDiego2016.pdf | 2016-03-15 13:27 | 11M | |
| X.txt | 2019-06-17 10:34 | 9.4M | |
| MD2NMR_Biophysics_2017.pdf | 2017-02-11 23:31 | 8.2M | |
| Rafael_Conformers.pdf | 2016-04-07 10:16 | 7.7M | |
| MD2NMR_SAM_2017.pdf | 2017-02-28 20:37 | 7.5M | |
| CNNposterACS2016.pdf | 2016-03-16 11:43 | 6.9M | |
| pharmit_ACSSanDiego2019.pdf | 2019-08-28 14:26 | 6.5M | |
| TIGIT_retreat.pdf | 2019-05-29 08:53 | 6.4M | |
| SunseriPoster_GPU.pdf | 2016-03-14 22:51 | 6.0M | |
| profilin_poster_BPS2017.pdf | 2017-02-11 23:31 | 6.0M | |
| llvm.tgz | 2023-03-16 10:34 | 6.0M | |
| gz_2010_us_050_00_5m.json | 2017-12-28 16:12 | 5.7M | |
| FOMS_Poster_vACS.pdf | 2016-03-15 15:57 | 5.2M | |
| PaCounty2020_08.geojson | 2020-10-01 09:50 | 5.2M | |
| CNN_Scoring_ACS_March_2017.pdf | 2017-04-03 02:37 | 4.8M | |
| MIT_2020_poster.pdf | 2020-08-27 15:28 | 4.5M | |
| 3Dmol_ACS2016.pdf | 2016-03-13 20:31 | 4.3M | |
| cnn2017_scores.tgz | 2021-03-02 09:07 | 3.4M | |
| pharmit_ACSSanFran17.pdf | 2017-04-03 16:40 | 3.1M | |
| sol.npz | 2022-11-03 22:15 | 3.0M | |
| mldata.npz | 2022-07-05 08:29 | 3.0M | |
| custom_scoring.pdf | 2021-04-04 08:09 | 2.7M | |
| SunseriPoster_FreeEnergy.pdf | 2016-03-16 11:44 | 2.7M | |
| Raj_docking_studies_shmt.pdf | 2016-08-10 14:17 | 2.6M | |
| Dusp6MayaPoster.pdf | 2017-03-15 09:20 | 2.5M | |
| NeurIPS_2020_MLSB_poster.pdf | 2020-12-02 14:03 | 2.4M | |
| bioimaging.slides.html | 2023-06-27 08:08 | 2.2M | |
| trajectory_analysis.slides.html | 2021-02-05 17:28 | 2.1M | |
| d3r-prospective-evaluation.pdf | 2018-12-03 17:05 | 2.1M | |
| trajectory_analysis.ipynb | 2021-02-05 17:28 | 2.0M | |
| libmolgrid_acs_s19.pdf | 2019-04-02 21:40 | 1.9M | |
| CNN_ACS_Philly.pdf | 2016-08-12 20:02 | 1.9M | |
| JamesCastiglionePoster.pdf | 2017-01-22 17:28 | 1.8M | |
| vizpaper_complexes.zip | 2018-03-06 14:30 | 1.8M | |
| CNN_Viz_ACS17.pdf | 2017-04-02 17:57 | 1.7M | |
| smallmin2.mov | 2017-04-29 23:31 | 1.7M | |
| muv_compounds.tar.gz | 2021-01-11 11:45 | 1.6M | |
| Haiyang_MD_Compress.pdf | 2016-09-28 19:53 | 1.5M | |
| example_test.sdf.gz | 2022-03-30 10:43 | 1.4M | |
| smallmin.mov | 2017-04-29 16:30 | 1.3M | |
| brca_er.csv | 2023-01-19 22:58 | 1.3M | |
| bytarget_AUC.pdf | 2019-10-29 11:45 | 1.0M | |
| machinelearning.slides.html | 2023-06-28 22:40 | 867K | |
| matrix_factorization_acs_s19.pdf | 2019-04-02 21:44 | 808K | |
| colab.zip | 2020-12-01 15:44 | 766K | |
| cnnmin.mov | 2017-04-25 13:08 | 681K | |
| open_source_review.pdf | 2016-04-29 13:14 | 655K | |
| lilyface.jpeg | 2022-03-19 22:24 | 524K | |
| 1976-2018-senate.tab | 2020-11-03 11:40 | 476K | |
| double_backwards.html | 2020-06-18 16:02 | 402K | |
| chk1.pdb | 2022-11-02 09:54 | 348K | |
| chembl_compounds.tar.gz | 2021-01-11 11:45 | 219K | |
| workshop_minimized_results.sdf.gz | 2021-05-26 21:26 | 196K | |
| ticket.png | 2019-10-22 11:47 | 141K | |
| sphx_glr_plot_iris_001.png | 2019-06-16 22:29 | 86K | |
| logo.png | 2022-09-10 21:49 | 46K | |
| lily2.jpg | 2023-03-14 18:21 | 46K | |
| aphidicolin.csv | 2020-03-23 09:22 | 31K | |
| y.txt | 2019-06-17 10:34 | 9.7K | |
| reveal.js/ | 2022-06-28 07:32 | - | |
| pdb.lmdb/ | 2024-07-19 10:26 | - | |
| molcaches/ | 2021-09-21 09:37 | - | |
| mds/ | 2021-06-23 09:44 | - | |
| ligan_weights/ | 2021-05-06 21:44 | - | |
| ligan_data/ | 2021-05-06 21:44 | - | |
| largemin/ | 2017-04-30 09:58 | - | |
| imputation_paper/ | 2023-10-06 13:50 | - | |
| images/ | 2019-07-10 21:47 | - | |
| gninavs/ | 2021-10-29 12:00 | - | |
| gnina1.0_paper/ | 2021-10-06 16:03 | - | |
| geom_raw/ | 2024-09-02 19:52 | - | |
| frataxin/ | 2022-01-18 13:17 | - | |
| crossdock2020/ | 2024-01-22 08:25 | - | |
| cnn-ani/ | 2020-11-03 17:55 | - | |
| aces/ | 2017-12-05 11:46 | - | |
| ace/ | 2017-12-05 11:46 | - | |
| abl1/ | 2017-12-05 11:46 | - | |
| aa2ar/ | 2017-12-05 11:46 | - | |
| FlowMol/ | 2024-12-05 14:23 | - | |