jiachengxiong / ReactSeqLinks
☆25Updated last month
Alternatives and similar repositories for ReactSeq
Users that are interested in ReactSeq are comparing it to the libraries listed below
Sorting:
- ☆28Updated last year
- Transformer-based model for chemical reactions☆86Updated 4 months ago
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆124Updated last year
- ☆70Updated last year
- Papers about Structure-based Drug Design (SBDD)☆124Updated 2 weeks ago
- ☆60Updated last year
- Working collection of papers, repos and models of transformer based language models trained or tuned for the Chemical domain, from natura…☆68Updated 2 years ago
- Official repository for MolCRAFT series☆115Updated 2 months ago
- ☆64Updated 4 years ago
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆42Updated 2 years ago
- ☆26Updated 2 years ago
- This is the code of paper "De Novo Molecular Generation via Connection-aware Motif Mining". Zijie Geng, Shufang Xie, Yingce Xia, Lijun Wu…☆56Updated 8 months ago
- ☆48Updated 3 years ago
- ☆33Updated 2 years ago
- ☆161Updated 2 years ago
- A tool for evaluating the predictive performance on activity cliff compounds of machine learning models☆188Updated 7 months ago
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆22Updated 3 years ago
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆71Updated last year
- Text mining of chemical reactions☆107Updated 10 months ago
- Wrapper for RDKit's RunReactants to improve stereochemistry handling☆171Updated last year
- Precise reaction atom-to-atom mapping with LocalMapper☆42Updated 5 months ago
- ☆58Updated 2 years ago
- Learning Graph Models for Retrosynthesis Prediction (NeurIPS 2021)☆50Updated 2 years ago
- Contains results and data from Augmented Transformer article☆38Updated 5 years ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆69Updated last year
- codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)☆117Updated last year
- A Sequence Generation Model for Reaction Diagram Parsing☆85Updated last year
- Predicting Organic Reactivity with LocalTransform☆47Updated 5 months ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆47Updated 2 years ago
- Geometry Deep Learning for Drug Discovery and Life Science☆71Updated last year