Alternatives and similar repositories for deepchem

Users that are interested in deepchem are comparing it to the libraries listed below

• chennnnnyize-zz / Generative-Molecules
  ☆31Updated 6 years ago
• schrodinger / schrodingerdeepchem
  Deep-learning models for Drug Discovery and Quantum Chemistry
  ☆27Updated 7 years ago
• sirimullalab / DLSCORE
  DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity
  ☆48Updated 2 years ago
• zhenglz / dockingML
  A package for MD, Docking and Machine learning drug discovery pipeline
  ☆44Updated 4 years ago
• wenhao-gao / askcos_synthesizability
  ☆28Updated 2 years ago
• bioinf-jku / interpretable_ml_drug_discovery
  Interpreting graph convolutional filters of target prediction network
  ☆48Updated 6 years ago
• topazape / LSTM_Chem
  Implementation of the paper - Generative Recurrent Networks for De Novo Drug Design.
  ☆117Updated 2 years ago
• rdkit / conda-rdkit
  Conda build recipe for the rdkit
  ☆51Updated 3 years ago
• chenxingqiang / alphafold2-docs
  A C, C++, Python project focusing on Docking analysis, Source code, Blogs, Data availability, References.
  ☆26Updated 2 years ago
• cansyl / DEEPScreen
  DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images
  ☆112Updated 9 months ago
• stan-his / DeepFMPO
  Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"
  ☆70Updated 4 years ago
• Bjoux2 / DeepDTIs_DBN
  Deep learning-based drug-target interaction prediction / Deep belief net (DBN) based on Theano
  ☆48Updated 6 years ago
• XinhaoLi74 / MolPMoFiT
  ☆46Updated 2 years ago
• lupoglaz / DeepLocalProteinDocking
  Learning protein representation for rigid-body docking
  ☆22Updated 5 years ago
• deepchem / deepchem-gui
  A simple web GUI for DeepChem
  ☆59Updated last year
• gregory-kyro / ChemSpaceAL
  ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein-Specific Molecular Generation
  ☆16Updated last year
• ProteinDesignLab / protein_seq_des
  Code for our paper "Protein sequence design with a learned potential"
  ☆79Updated last year
• LamUong / Generate-novel-molecules-with-LSTM
  Novel molecules generation with LSTM
  ☆17Updated 4 years ago
• ElwynWang / DeepFragLib
  ☆29Updated 4 years ago
• hkmztrk / SMILESbasedSimilarityKernels
  ☆16Updated 7 years ago
• maxime-langevin / scaffold-constrained-generation
  ☆37Updated 4 years ago
• XericZephyr / seq2seq-fingerprint
  Official Implementation for "Seq2seq Fingerprint: An Unsupervised Deep Molecular Embedding for Drug Discovery".
  ☆39Updated 7 years ago
• gadsbyfly / PyBioMed
  machine learning, molecular descriptor
  ☆113Updated 2 years ago
• insilicomedicine / BiAAE
  Molecular Generation for Desired Transcriptome Changes with Adversarial Autoencoders
  ☆53Updated 4 years ago
• eliberis / parapred
  Paratope Prediction using Deep Learning
  ☆59Updated last year
• shenwanxiang / ChemBench
  MoleculeNet benchmark dataset & MolMapNet dataset
  ☆64Updated 3 years ago
• rdkit / UGM_2018
  2018 RDKit UGM
  ☆14Updated 6 years ago
• GLambard / inverse-molecular-design
  Autonomous generator of novel organic compounds from target physicochemical properties. It accelerates innovations in novel materials and…
  ☆16Updated 7 years ago
• liyigerry / gmx
  molecular dynamics simulation and analysis. 分子动力学模拟和分析。
  ☆39Updated 5 years ago
• Merck / DeepNeuralNet-QSAR
  ☆64Updated 6 years ago