「機械学習による分子最適化」のサポートページ
☆14Jan 31, 2024Updated 2 years ago
Alternatives and similar repositories for ml4chem
Users that are interested in ml4chem are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- 『Pythonで動かしてはじめる量子化学計算』（コロナ社，2024）☆24Jun 5, 2024Updated 2 years ago
- Graph Convolutional Network tools for life science☆11Nov 20, 2020Updated 5 years ago
- Github for the TOPCONS2☆17Mar 6, 2025Updated last year
- ☆44Jul 30, 2026Updated 2 weeks ago
- GPUCorrel : A GPU accelerated Digital Image Correlation Software written in Python. To cite this Original Software Publication: https://w…☆11Sep 9, 2021Updated 4 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Molecular Visualization powered by Plotly☆18Aug 28, 2022Updated 3 years ago
- PHi-C: deciphering Hi-C data into polymer dynamics☆11Aug 12, 2020Updated 6 years ago
- 化学反応解析ソフトCanteraの情報☆10Apr 15, 2025Updated last year
- 分子動力学法の理論と実装(集中講義ノート)☆33May 31, 2025Updated last year
- Pytorch implementation of MPNN for Quantum Chemistry☆18Nov 7, 2024Updated last year
- How to build and distribute a C++ shared library inside a Python wheel using Poetry☆10Feb 17, 2020Updated 6 years ago
- Pytorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"☆71Mar 31, 2021Updated 5 years ago
- ☆16Sep 30, 2024Updated last year
- Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism☆22Sep 22, 2023Updated 2 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- RJT-RL: De novo molecular design using a Reversible Junction Tree and Reinforcement Learning☆24Aug 22, 2022Updated 3 years ago
- Monte Carlo Flow Models for Data Imputation☆20Jun 1, 2020Updated 6 years ago
- Hands-on workshop on NGS data analysis @ NARO☆11Oct 24, 2023Updated 2 years ago
- Proof of the concept implementation of smiles2vec paper☆34Apr 17, 2019Updated 7 years ago
- ☆13Jan 25, 2026Updated 6 months ago
- Visualization for TRI materials network data☆17Jul 18, 2023Updated 3 years ago
- Tool to help visualize data after BLAST by generating pathways on KEGG using an input file of genes and their associated KEGG accession.☆10Apr 29, 2022Updated 4 years ago
- A fragment-based molecular assembly toolkit☆52Updated this week
- ☆45Aug 28, 2022Updated 3 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- ☆15Aug 13, 2023Updated 3 years ago
- ☆16Jun 30, 2024Updated 2 years ago
- IUPAC SMILES+ Specification☆42Dec 12, 2023Updated 2 years ago
- ☆12Jul 27, 2026Updated 3 weeks ago
- VeloxChem is a Python-based open source quantum chemistry software developed for computing molecular properties and a variety of spectros…☆66Updated this week
- Code for automatically tuning quantum dots☆14Jan 31, 2023Updated 3 years ago
- ☆52Nov 1, 2020Updated 5 years ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆36May 23, 2024Updated 2 years ago
- A Material-UI-v5 file upload dropzone☆14Apr 2, 2023Updated 3 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Internal Coordinate Analysis of Vibrational Modes from QM Calculations.☆30Jul 12, 2026Updated last month
- Examples in PyAMG☆29Sep 23, 2024Updated last year
- 数値シミュレーションの基礎☆55Apr 20, 2026Updated 3 months ago
- Scripts, inputs and the results generated as part of the training the Sage line of OpenFF force fields.☆23Jun 30, 2025Updated last year
- Generative deep learning model for inorganic materials☆20Mar 24, 2023Updated 3 years ago
- Deep-Learning-Based Multivariate Curve Resolution☆14Oct 14, 2021Updated 4 years ago
- Store your chemical data in a single file!☆13May 7, 2025Updated last year