Ecosyste.ms: Issues
An open API service for providing issue and pull request metadata for open source projects.
GitHub / deepchem/deepchem issues and pull requests
#3449 - Building vocabulary using grover vocabulary builder
Issue -
State: closed - Opened by arunppsg over 1 year ago
#3448 - Weavegather torch
Pull Request -
State: closed - Opened by NimishaDey over 1 year ago
#3447 - changes to electron sampler for ferminet
Pull Request -
State: closed - Opened by shaipranesh2 over 1 year ago
#3446 - Porting DTNNGather Layer
Pull Request -
State: closed - Opened by GreatRSingh over 1 year ago
- 1 comment
#3445 - Highway Layer Porting to PyTorch
Pull Request -
State: closed - Opened by Ash-29 over 1 year ago
- 1 comment
#3444 - Porting of MolGANConvolutionLayer from tensorflow to pytorch
Pull Request -
State: closed - Opened by shreyasvinaya over 1 year ago
#3442 - fixes in chemberta docstring
Pull Request -
State: closed - Opened by arunppsg over 1 year ago
- 2 comments
#3441 - Adding xc loss
Pull Request -
State: open - Opened by advikavs over 1 year ago
#3437 - [WIP] Ferminet
Pull Request -
State: open - Opened by shaipranesh2 over 1 year ago
#3436 - Porting DTNNStep Layer
Pull Request -
State: closed - Opened by GreatRSingh over 1 year ago
- 1 comment
#3435 - Fixed overwrite issue
Pull Request -
State: open - Opened by datamit-tech over 1 year ago
- 1 comment
#3434 - MolGAN Pytorch Porting
Pull Request -
State: closed - Opened by shreyasvinaya over 1 year ago
#3432 - add copy button to code blocks
Pull Request -
State: closed - Opened by arunppsg over 1 year ago
- 2 comments
#3426 - Add mxmnet_featurizer and tests
Pull Request -
State: closed - Opened by riya-singh28 over 1 year ago
- 4 comments
#3425 - fix dockerfile v2
Pull Request -
State: closed - Opened by ARY2260 over 1 year ago
#3423 - Loading BBBP dataset with DummyFeaturizer
Issue -
State: closed - Opened by arunppsg over 1 year ago
- 1 comment
#3420 - importing openmm errors in CI
Issue -
State: open - Opened by ARY2260 over 1 year ago
- 2 comments
#3412 - Adding evaluate method for MLM models
Pull Request -
State: closed - Opened by arunppsg over 1 year ago
- 2 comments
#3408 - How to construct a pl.DataModule to use with deepchem
Issue -
State: closed - Opened by NadavQuris over 1 year ago
#3407 - fix featurization freesolv
Pull Request -
State: open - Opened by ARY2260 over 1 year ago
#3406 - InfoMax3DModular
Pull Request -
State: open - Opened by tonydavis629 over 1 year ago
#3405 - Principal Neighborhood Aggregnation model
Pull Request -
State: open - Opened by tonydavis629 over 1 year ago
#3404 - ModuleNotFoundError: No module named 'deepchem.feat.vocabulary_builders'
Issue -
State: open - Opened by LiuCMU over 1 year ago
#3403 - There is a bug when I import deepChem
Issue -
State: open - Opened by Spartanzhao over 1 year ago
- 2 comments
#3402 - Warning or error before saving a dataset to a directory with pre-existing files
Issue -
State: open - Opened by puddleglum56 over 1 year ago
- 5 comments
Labels: Good First Contribution, Contribution Welcome
#3401 - Net3D network
Pull Request -
State: open - Opened by tonydavis629 over 1 year ago
#3400 - Scaffold split on zinc15 dataset
Issue -
State: open - Opened by arunppsg over 1 year ago
#3399 - Allow loading only specific tasks in zinc15 dataset
Pull Request -
State: closed - Opened by arunppsg over 1 year ago
#3398 - Fix Euclidean distance in WeaveFeaturizer
Pull Request -
State: open - Opened by jc32173 over 1 year ago
#3397 - 3d GNN layer
Pull Request -
State: open - Opened by tonydavis629 over 1 year ago
#3396 - A descriptors list has been removed from RDKitDescriptors?
Issue -
State: open - Opened by taidbui over 1 year ago
- 3 comments
Labels: bug, Contribution Welcome
#3395 - PNA GNN
Pull Request -
State: closed - Opened by tonydavis629 over 1 year ago
#3394 - Graph utils for 3dinfomax
Pull Request -
State: closed - Opened by tonydavis629 over 1 year ago
#3393 - Shard size issue - DFT yaml loader
Pull Request -
State: open - Opened by advikavs over 1 year ago
#3392 - PNA layers
Pull Request -
State: closed - Opened by tonydavis629 over 1 year ago
#3391 - Encoder layers for 3D infomax
Pull Request -
State: closed - Opened by tonydavis629 over 1 year ago
- 1 comment
#3390 - Fixing load from pretrained for huggingFace Models
Pull Request -
State: closed - Opened by arunppsg over 1 year ago
#3389 - Added support for Multitask regression task in HuggingFace models
Pull Request -
State: closed - Opened by arunppsg over 1 year ago
#3388 - Added support for Multitask regression task in HuggingFace models
Pull Request -
State: closed - Opened by arunppsg over 1 year ago
#3387 - Fix Tutorial 13 on Molecular Docking
Pull Request -
State: closed - Opened by JoseAntonioSiguenza over 1 year ago
- 1 comment
#3386 - XC loss
Pull Request -
State: open - Opened by advikavs over 1 year ago
#3385 - MLP batchnorm
Pull Request -
State: closed - Opened by tonydavis629 over 1 year ago
#3384 - Tutorial render order
Pull Request -
State: closed - Opened by Yukino2002 over 1 year ago
#3383 - Updated Documentation
Pull Request -
State: open - Opened by Ash-29 over 1 year ago
- 1 comment
#3382 - chemberta in deepchem
Pull Request -
State: closed - Opened by arunppsg over 1 year ago
#3381 - density profile loss function
Pull Request -
State: closed - Opened by advikavs over 1 year ago
#3380 - Adding weights to DFT datasets
Pull Request -
State: closed - Opened by advikavs over 1 year ago
#3379 - Is GPU mandatory for GCN model to run?
Issue -
State: open - Opened by sumenties over 1 year ago
#3378 - RdkitConformerFeaturizer
Pull Request -
State: closed - Opened by tonydavis629 over 1 year ago
- 1 comment
#3377 - Adding DFT layers to docs table
Pull Request -
State: closed - Opened by advikavs over 1 year ago
- 1 comment
#3376 - Modifying calculations for polyatomic molecules
Pull Request -
State: closed - Opened by advikavs over 1 year ago
#3375 - DeepGraphInfomaxLoss docs fix
Pull Request -
State: closed - Opened by tonydavis629 over 1 year ago
#3374 - Add tutorial rendering orders as CSVs
Pull Request -
State: closed - Opened by dibyam1101 over 1 year ago
#3373 - add GraphData subgraph, shortest length
Pull Request -
State: closed - Opened by tonydavis629 over 1 year ago
- 1 comment
#3372 - GNN Modular encoder layers
Pull Request -
State: closed - Opened by tonydavis629 over 1 year ago
#3371 - Layers cheatsheet
Pull Request -
State: closed - Opened by anoushka2000 over 1 year ago
- 1 comment
#3370 - seed cannot work in the splitter.train_valid_test_split
Issue -
State: open - Opened by yxnyu over 1 year ago
- 1 comment
#3369 - Context pred GNN Modular
Pull Request -
State: closed - Opened by tonydavis629 over 1 year ago
#3368 - MoleculeNet Cheatsheet
Pull Request -
State: closed - Opened by JoseAntonioSiguenza over 1 year ago
- 2 comments
#3367 - In tutorial notebooks: Update model argument split to splitter
Pull Request -
State: open - Opened by yihuajack over 1 year ago
#3366 - unable to restore the checkpoints of deepchem models
Issue -
State: open - Opened by SoodabehGhaffari over 1 year ago
#3365 - Tutorial on XC Model
Pull Request -
State: closed - Opened by advikavs over 1 year ago
- 2 comments
#3364 - installation gpu version of deepchem from the source
Issue -
State: closed - Opened by SoodabehGhaffari over 1 year ago
- 2 comments
#3363 - DFT XC Model
Pull Request -
State: closed - Opened by advikavs over 1 year ago
#3362 - Integrating Huggingface models in Deepchem
Pull Request -
State: closed - Opened by arunppsg over 1 year ago
#3361 - fixing dqc workflows
Pull Request -
State: closed - Opened by advikavs over 1 year ago
#3360 - fixing dqc workflows
Pull Request -
State: closed - Opened by advikavs over 1 year ago
#3359 - fixing dqc pytest
Pull Request -
State: closed - Opened by advikavs over 1 year ago
#3358 - DeepGraphInfomax GNNModular pretraining task
Pull Request -
State: closed - Opened by tonydavis629 over 1 year ago
#3357 - Running deepchem on GPU
Issue -
State: closed - Opened by SoodabehGhaffari over 1 year ago
- 5 comments
#3356 - hyperparameter optimization
Issue -
State: open - Opened by SoodabehGhaffari over 1 year ago
- 2 comments
#3355 - Adding spin and charge properties to dft data
Pull Request -
State: closed - Opened by advikavs over 1 year ago
#3354 - Add support for pytorch 2.0.0
Issue -
State: closed - Opened by arunppsg over 1 year ago
- 2 comments
Labels: Good Intermediate Contribution
#3353 - about seed in the data load
Issue -
State: open - Opened by yxnyu over 1 year ago
- 1 comment
#3352 - Docs for ci
Pull Request -
State: closed - Opened by arunppsg over 1 year ago
#3351 - fixing dqc test
Pull Request -
State: closed - Opened by advikavs over 1 year ago
#3350 - Masking tasks for GNN Modular
Pull Request -
State: closed - Opened by tonydavis629 over 1 year ago
#3349 - PCBA raw dataset download
Issue -
State: closed - Opened by Data-reindeer over 1 year ago
- 2 comments
#3348 - remnants of #3336
Pull Request -
State: closed - Opened by arunppsg over 1 year ago
#3347 - Port OntologyModel to PyTorch
Issue -
State: open - Opened by rbharath over 1 year ago
Labels: Contribution Welcome, Good Intermediate Contribution
#3346 - DFT torch model
Pull Request -
State: closed - Opened by advikavs over 1 year ago
- 1 comment
#3345 - Google Colab: DMPNN Bug
Issue -
State: closed - Opened by yxnyu over 1 year ago
- 2 comments
#3344 - style: provider initial in capitalization README
Pull Request -
State: closed - Opened by guspan-tanadi over 1 year ago
- 1 comment
#3343 - Supervised GNNModular tasks
Pull Request -
State: closed - Opened by tonydavis629 over 1 year ago
#3342 - removed macos installation steps in ci worfklow
Pull Request -
State: closed - Opened by arunppsg over 1 year ago
#3339 - GNNModular
Pull Request -
State: closed - Opened by tonydavis629 over 1 year ago
#3338 - Bug/advanced model training tutorial
Pull Request -
State: open - Opened by Hrrsmjd over 1 year ago
#3335 - adding grover finetune model
Pull Request -
State: closed - Opened by arunppsg over 1 year ago
#3334 - adding grover pretrain module
Pull Request -
State: closed - Opened by arunppsg over 1 year ago
- 1 comment
#3333 - Cleaning docstring for grover layers
Pull Request -
State: closed - Opened by arunppsg over 1 year ago
#3331 - Update documentation of BasicMolGANModel
Pull Request -
State: open - Opened by shreyasvinaya over 1 year ago
- 3 comments
#3330 - Add MoleculeNet Cheatsheet
Issue -
State: closed - Opened by rbharath over 1 year ago
- 1 comment
Labels: Good First Contribution
#3329 - Removing duplicate grover test
Pull Request -
State: closed - Opened by arunppsg over 1 year ago
#3326 - Add a Layers Cheatsheet
Issue -
State: open - Opened by rbharath over 1 year ago
- 3 comments
Labels: Good First Contribution
#3322 - add max size feature to grover vocabulary
Pull Request -
State: closed - Opened by arunppsg over 1 year ago
- 1 comment
#3319 - removed torch-scatter and torch-sparse from dependency
Pull Request -
State: closed - Opened by arunppsg over 1 year ago
#3316 - Wrapper to use hugging face algorithms for building vocabulary
Pull Request -
State: closed - Opened by arunppsg over 1 year ago
#3312 - extracting attributes for grover model from batch graph
Pull Request -
State: closed - Opened by arunppsg over 1 year ago
- 1 comment
#3311 - Improvements to code formatting ci
Pull Request -
State: closed - Opened by arunppsg over 1 year ago
#3309 - removing scipy pin
Pull Request -
State: closed - Opened by arunppsg over 1 year ago
- 2 comments