suanfaxiaohuo / SwinOCSRLinks
☆24Updated 2 years ago
Alternatives and similar repositories for SwinOCSR
Users that are interested in SwinOCSR are comparing it to the libraries listed below
Sorting:
- This repository contains the information related to the benchmark study on openly available OCSR tools☆38Updated 4 years ago
- ☆26Updated 2 years ago
- This repository contains RanDepict, an easy-to-use utility to generate a big variety of chemical structure depictions (random depiction s…☆27Updated last year
- ☆23Updated 2 years ago
- Transformer in Chemical Language Model sometimes misunderstands chirality☆11Updated last year
- A Sequence Generation Model for Reaction Diagram Parsing☆25Updated last month
- ☆12Updated 3 years ago
- ☆25Updated 5 years ago
- Implementation of MolSearch paper☆22Updated last year
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆44Updated 3 years ago
- ☆14Updated 2 years ago
- Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism☆22Updated last year
- De Novo Drug Design by Iterative Multi-Objective Deep Reinforcement Learning with graph-based Molecular Quality Assessment☆14Updated 2 years ago
- Learning Protein-Ligand Properties with Atomic Environment Vectors☆10Updated last year
- ☆28Updated last year
- ☆25Updated last year
- ☆25Updated 2 years ago
- Img2SMILES generator☆23Updated 3 years ago
- Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)☆19Updated 3 months ago
- ☆12Updated 4 years ago
- Academic license pre-required. While FEP Plus charge you 100,000 USD per year. Here comes the FEP-Minus, it is a Schrodinger FEP Plus ide…☆21Updated last year
- COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses☆18Updated last year
- A feeble attempt at molecular recognition (in the literal sense)☆60Updated 7 months ago
- Chemical reaction data cleaning☆30Updated 3 years ago
- Molecular SMILE generation with recurrent neural networks☆19Updated 3 weeks ago
- ☆27Updated 2 years ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆17Updated 2 months ago
- ☆26Updated last year
- Platforms to predict reactivity for substitution reactions.☆20Updated 4 years ago
- My first ever repository, some notebooks useful, others sucks. Topics include file format conversion with obabel, docking with Auto Dock,…☆26Updated 3 years ago