Alternatives and similar repositories for 3D_Scaffold

Users that are interested in 3D_Scaffold are comparing it to the libraries listed below

• micahwang / RELATION
  ☆17Updated 2 years ago
• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• schwallergroup / augmented_memory
  Augmented Memory and Beam Enumeration implementation
  ☆25Updated last year
• meddwl / psearch
  3D ligand-based pharmacophore modeling
  ☆50Updated 3 months ago
• sekijima-lab / DiffInt
  ☆17Updated 2 months ago
• yydiao1025 / MacFrag
  ☆27Updated 2 years ago
• oxpig / DEVELOP
  ☆55Updated last year
• oxpig / MolSnapper
  ☆50Updated 3 months ago
• sekijima-lab / mermaid
  ☆12Updated 3 years ago
• MolecularAI / Lib-INVENT-dataset
  ☆20Updated 2 years ago
• tblaschke / reinvent-memory
  Code for memory-assisted reinforcement learning
  ☆23Updated 4 years ago
• mathcom / COMA
  COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses
  ☆18Updated last year
• AnyoLabs / iScore
  Implementation of the Paper "iScore: A ML-Based Scoring Function for de novo Drug Discovery" by S.J. Mahdizadeh, and L.A. Eriksson (https…
  ☆16Updated last year
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆24Updated 2 years ago
• MarkusFerdinandDablander / QSAR-activity-cliff-experiments
  Exploring QSAR Models for Activity-Cliff Prediction
  ☆19Updated last year
• pfnet-research / RJT-RL
  RJT-RL: De novo molecular design using a Reversible Junction Tree and Reinforcement Learning
  ☆23Updated 3 years ago
• jkwang93 / ChemistGA
  ☆23Updated 2 years ago
• GilbertoPPereira / PROTACability
  ☆12Updated 2 years ago
• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆30Updated 3 months ago
• prokia / deepHops
  source code for deppHop
  ☆36Updated 3 years ago
• molML / traversing_chem_space
  ☆25Updated last year
• prescient-design / StrainRelief
  ☆20Updated 3 weeks ago
• giaguaro / PROTACable
  PROTACable is an end-to-end in-silico design toolkit for novel PROTACs
  ☆29Updated last year
• YanjunLi-CS / dyscore
  Open source code for DyScore
  ☆20Updated 2 years ago
• zchwang / OnionNet-2
  OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.
  ☆20Updated last year
• SeonghwanSeo / BBAR
  Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)
  ☆33Updated 5 months ago
• hnlab / BindingNet
  ☆25Updated last year
• biomed-AI / DRlinker
  ☆25Updated 2 years ago
• compsciencelab / PromptSMILES
  Scaffold decoration and fragment linking with chemical language models and RL
  ☆26Updated 5 months ago
• litfsindt / LIT-SpaceDock
  ☆16Updated last year