GT4SD/gt4sd-core issues and pull requests

#252 - feat: using enzeptional via pypi.

Pull Request - State: closed - Opened by yvesnana 14 days ago
Labels: cla-signed

#251 - Merge pull request #1 from GT4SD/main

Pull Request - State: closed - Opened by yvesnana 21 days ago
Labels: cla-signed

#250 - Fix discovery demo

Pull Request - State: closed - Opened by jannisborn 3 months ago
Labels: invalid, cla-signed

#249 - fix: use pip for torch-scatter instead of conda

Pull Request - State: closed - Opened by fiskrt 3 months ago
Labels: cla-signed

#248 - Pypi python version

Pull Request - State: closed - Opened by jannisborn 3 months ago - 2 comments
Labels: cla-signed

#247 - Bumping pydantic >= 2.0.0

Pull Request - State: closed - Opened by jannisborn 3 months ago - 2 comments
Labels: cla-signed

#246 - CLA signature

Issue - State: closed - Opened by fiskrt 4 months ago - 1 comment
Labels: cla-signed, cla-signing

#245 - CLA signature

Issue - State: closed - Opened by fiskrt 4 months ago
Labels: cla-signing

#244 - CLA signature

Issue - State: closed - Opened by fiskrt 4 months ago
Labels: cla-signing

#243 - CLA signature

Issue - State: closed - Opened by fiskrt 4 months ago
Labels: cla-signing

#242 - Py310

Pull Request - State: closed - Opened by jannisborn 4 months ago - 2 comments
Labels: cla-signed

#241 - Python310 support

Pull Request - State: closed - Opened by jannisborn 4 months ago - 1 comment
Labels: cla-signed

#240 - fixed enzyme optmization with Kcat fitness function

Pull Request - State: closed - Opened by yvesnana 5 months ago
Labels: cla-signed

#239 - fix: fixed enzyme optmization with Kcat fitness function

Pull Request - State: closed - Opened by yvesnana 5 months ago - 1 comment
Labels: cla-signed

#238 - fix: fixed enzyme optimization with Kcat fitness function

Pull Request - State: closed - Opened by yvesnana 5 months ago - 1 comment

#237 - fix: fixed enzyme optimization with Kcat fitness function

Pull Request - State: closed - Opened by yvesnana 5 months ago - 3 comments

#236 - Enzeptional No Unmasking model loaded.

Issue - State: closed - Opened by Allostelic 5 months ago - 4 comments
Labels: bug

#235 - OS-specific installation

Pull Request - State: closed - Opened by jannisborn 7 months ago
Labels: cla-signed

#234 - refactor: Cleaned Enzeptional

Pull Request - State: closed - Opened by yvesnana 7 months ago
Labels: cla-signed

#232 - Cleaned Enzeptional

Pull Request - State: closed - Opened by yvesnana 10 months ago
Labels: cla-signed

#231 - Training on custom dataset fails

Issue - State: closed - Opened by SabariKumar 11 months ago - 3 comments
Labels: bug

#230 - Can't install the package with conda or from source

Issue - State: closed - Opened by bransom960 12 months ago - 1 comment
Labels: bug

#229 - Problem of the weights of text-and-chemistry-t5-base-augm

Issue - State: closed - Opened by Jenonone about 1 year ago - 3 comments

#228 - Problem of Chem+Text T5

Issue - State: closed - Opened by zw-SIMM about 1 year ago - 2 comments
Labels: enhancement

#227 - Bug/unexpected behaviour in the regression transformer hugging face demo

Issue - State: closed - Opened by itaijj about 1 year ago - 1 comment

#226 - Fix paccmann gp stochasticity

Pull Request - State: closed - Opened by jannisborn about 1 year ago
Labels: bug, cla-signed

#225 - issue when running jupyter visum-2022-handson-generative-models in GPU

Issue - State: closed - Opened by itaijj about 1 year ago - 3 comments
Labels: bug

#224 - Bug with random seed in paccman generator

Issue - State: closed - Opened by itaijj about 1 year ago - 18 comments
Labels: bug

#223 - Is there a demo of "Multitask Text and Chemistry T5"?

Issue - State: closed - Opened by hkqiu about 1 year ago - 6 comments
Labels: enhancement

#222 - Upper bound requirements

Pull Request - State: closed - Opened by jannisborn about 1 year ago
Labels: ci, cla-signed

#221 - Test data 'qm9.h5' and files could not be found

Issue - State: closed - Opened by ylyzz21 about 1 year ago - 2 comments
Labels: enhancement

#220 - doc: update README/Citation.cff (close #7)

Pull Request - State: closed - Opened by jannisborn over 1 year ago
Labels: cla-signed

#219 - Fix Segmentation faults for GPU installation

Pull Request - State: closed - Opened by jannisborn over 1 year ago
Labels: cla-signed

#218 - chore: ensuring order of tensorflow imports.

Pull Request - State: closed - Opened by drugilsberg over 1 year ago
Labels: cla-signed

#217 - feat: support custom (de)normalization of property values in RT

Pull Request - State: closed - Opened by jannisborn over 1 year ago
Labels: bug, enhancement, cla-signed

#216 - Installation Error

Issue - State: closed - Opened by iPFAS over 1 year ago - 9 comments
Labels: bug

#215 - Use gt4sd-trainer-hf-pl training pipelines

Pull Request - State: closed - Opened by christofid over 1 year ago
Labels: cla-signed

#214 - CLA signature

Issue - State: closed - Opened by elzinga-ibm-research over 1 year ago - 1 comment
Labels: cla-signed, cla-signing

#213 - CLA signature

Issue - State: closed - Opened by elzinga-ibm-research over 1 year ago - 1 comment
Labels: cla-signed, cla-signing

#212 - Improve cpuonly install

Pull Request - State: closed - Opened by elzinga-ibm-research over 1 year ago - 5 comments
Labels: cla-signed

#211 - feat: improving tokenizer handling in RT inference.

Pull Request - State: closed - Opened by drugilsberg over 1 year ago
Labels: cla-signed

#210 - chore: updating GPU build.

Pull Request - State: closed - Opened by drugilsberg over 1 year ago - 4 comments
Labels: cla-signed

#209 - RT: Improved handling of substructures in generation task

Pull Request - State: closed - Opened by jannisborn over 1 year ago
Labels: enhancement, cla-signed

#208 - FAILED: Improved handling of substructures in generation task

Pull Request - State: closed - Opened by jannisborn over 1 year ago - 1 comment

#207 - FAILED : Improved handling of substructures in generation task

Pull Request - State: closed - Opened by jannisborn over 1 year ago - 5 comments

#206 - Enable molformer training

Pull Request - State: closed - Opened by christofid over 1 year ago - 2 comments
Labels: cla-signed

#205 - MoLeR support for latent encoding

Pull Request - State: closed - Opened by jannisborn over 1 year ago
Labels: enhancement, cla-signed

#204 - Enable Molformer into inference pipelines

Pull Request - State: closed - Opened by christofid over 1 year ago
Labels: cla-signed

#203 - chore: improved error handling

Pull Request - State: closed - Opened by jannisborn over 1 year ago
Labels: invalid, cla-signed

#202 - Fix HF generator output

Pull Request - State: closed - Opened by christofid over 1 year ago
Labels: cla-signed

#201 - Enable T5 generation and beam search

Pull Request - State: closed - Opened by christofid over 1 year ago - 1 comment
Labels: cla-signed

#200 - Installation on M1 Macs

Issue - State: open - Opened by MAlberts99 over 1 year ago - 3 comments
Labels: help wanted, wontfix

#199 - refactor & feat: re-organized the scripts and added new features

Pull Request - State: closed - Opened by yvesnana over 1 year ago - 1 comment
Labels: cla-signed

#198 - CLA signature

Issue - State: closed - Opened by yvesnana over 1 year ago - 1 comment
Labels: cla-signed, cla-signing

#197 - Updating Enzeptional

Pull Request - State: closed - Opened by yvesnana over 1 year ago - 2 comments

#196 - Block copolymer

Pull Request - State: closed - Opened by jannisborn over 1 year ago
Labels: enhancement, cla-signed

#195 - CLA signature

Issue - State: closed - Opened by helderlopes97 over 1 year ago - 1 comment
Labels: cla-signed, cla-signing

#194 - WIP: add copolymer as a language option

Pull Request - State: closed - Opened by helderlopes97 over 1 year ago - 2 comments
Labels: cla-signed

#193 - Update LM tokenizer for CGMs

Pull Request - State: closed - Opened by christofid over 1 year ago
Labels: cla-signed

#192 - How was the moses VAE trained?

Issue - State: closed - Opened by davidegraff over 1 year ago - 8 comments
Labels: question

#191 - Add RandomForest classifier for crystals

Pull Request - State: closed - Opened by christofid over 1 year ago
Labels: cla-signed

#190 - test: enable cgcnn test

Pull Request - State: closed - Opened by jannisborn over 1 year ago
Labels: invalid, cla-signed

#189 - Proper CGCNN model loading

Pull Request - State: closed - Opened by christofid over 1 year ago - 1 comment
Labels: cla-signed

#188 - Updating pymatgen installation/deps

Pull Request - State: closed - Opened by drugilsberg over 1 year ago - 1 comment
Labels: cla-signed

#187 - CGCNN Refactoring

Pull Request - State: closed - Opened by jannisborn over 1 year ago
Labels: enhancement, invalid, cla-signed

#186 - CGCNN

Issue - State: closed - Opened by jannisborn over 1 year ago - 1 comment
Labels: bug

#185 - fix: granular deprecated pl.Trainer flag

Pull Request - State: closed - Opened by drugilsberg over 1 year ago
Labels: cla-signed

#184 - QED optimization with Organ

Issue - State: closed - Opened by palazzef over 1 year ago - 3 comments

#183 - Add cgcnn

Pull Request - State: closed - Opened by christofid over 1 year ago - 1 comment
Labels: cla-signed

#182 - Adapting discovery demo for solubility task

Pull Request - State: closed - Opened by jannisborn over 1 year ago - 1 comment
Labels: enhancement, cla-signed

#180 - weights.pkl file missing

Issue - State: closed - Opened by palazzef over 1 year ago - 9 comments
Labels: bug

#179 - RT saving pipeline

Pull Request - State: closed - Opened by jannisborn over 1 year ago
Labels: enhancement, cla-signed

#178 - Moses upgrade

Pull Request - State: closed - Opened by jannisborn almost 2 years ago - 1 comment
Labels: bug, cla-signed

#177 - pretrained models

Issue - State: closed - Opened by davidegraff almost 2 years ago - 2 comments

#176 - MOSES VAE from Guacamol training reconstruction is "incorrect"

Issue - State: closed - Opened by davidegraff almost 2 years ago - 12 comments
Labels: bug

#175 - Paccmann vae inference

Pull Request - State: closed - Opened by jannisborn almost 2 years ago - 2 comments
Labels: cla-signed

#174 - Update Keybert's version in requirements

Pull Request - State: closed - Opened by christofid almost 2 years ago
Labels: cla-signed

#173 - CLA signature

Issue - State: closed - Opened by mirunacrt almost 2 years ago - 1 comment
Labels: cla-signed, cla-signing

#172 - implementing a finetuning feature

Pull Request - State: closed - Opened by mirunacrt almost 2 years ago - 2 comments
Labels: enhancement, cla-signed

#171 - Support model finetuning in PaccMann Trainer

Issue - State: closed - Opened by jannisborn almost 2 years ago
Labels: enhancement

#170 - RT training - option to save dataset

Pull Request - State: closed - Opened by jannisborn almost 2 years ago
Labels: enhancement, cla-signed

#169 - RegressionTransformer saving pipeline

Issue - State: closed - Opened by jannisborn almost 2 years ago
Labels: enhancement

#168 - Torchdrug property optimization

Pull Request - State: closed - Opened by jannisborn almost 2 years ago
Labels: cla-signed

#167 - Submission fixes

Pull Request - State: closed - Opened by jannisborn almost 2 years ago - 3 comments
Labels: cla-signed

#166 - feat: Support in RT Trainer for multiple entities

Pull Request - State: closed - Opened by NicolaiRee almost 2 years ago - 1 comment
Labels: cla-signed

#165 - Multiple entities rt trainer

Pull Request - State: closed - Opened by NicolaiRee almost 2 years ago - 1 comment

#164 - Minors

Pull Request - State: closed - Opened by jannisborn almost 2 years ago - 2 comments
Labels: cla-signed

#160 - Install MoLeR from PyPI

Issue - State: closed - Opened by jannisborn almost 2 years ago
Labels: torchdrug-stalled

#159 - feat: Support in RT Trainer for multiple entities.

Pull Request - State: closed - Opened by NicolaiRee almost 2 years ago - 9 comments

#154 - feat: updating gt4sd base image.

Pull Request - State: closed - Opened by drugilsberg almost 2 years ago
Labels: cla-signed

#151 - Wheel issue and pkg_resource refactor

Pull Request - State: closed - Opened by jannisborn almost 2 years ago
Labels: cla-signed

#150 - TorchProtein integration

Issue - State: closed - Opened by jannisborn almost 2 years ago - 1 comment
Labels: enhancement, good first issue, help wanted

#143 - Support in RT Trainer for multiple entities

Issue - State: closed - Opened by jannisborn almost 2 years ago
Labels: enhancement

#133 - Remove pydantic upper bound

Issue - State: closed - Opened by drugilsberg about 2 years ago
Labels: enhancement, good first issue, help wanted

#130 - Disentangle properties from algorithms

Issue - State: closed - Opened by jannisborn about 2 years ago - 1 comment
Labels: enhancement

#127 - fix: configurable cache management.

Pull Request - State: closed - Opened by drugilsberg about 2 years ago - 1 comment
Labels: cla-signed

#126 - feat: configurable unverified contexts for SSL.

Pull Request - State: closed - Opened by drugilsberg about 2 years ago
Labels: cla-signed

#123 - Add methods for artifact-based property predictors

Issue - State: closed - Opened by jannisborn about 2 years ago - 1 comment
Labels: enhancement

#122 - Refactor AlgorithmConfiguration baseclass

Issue - State: closed - Opened by jannisborn about 2 years ago - 1 comment
Labels: refactoring

#115 - Unify prediction algorithms and property predictors

Issue - State: closed - Opened by drugilsberg about 2 years ago - 1 comment
Labels: enhancement

GitHub / GT4SD/gt4sd-core issues and pull requests