Most net stars, last 30 days
deepchem/deepchemDemocratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
+92
18% of the net stars of this Tag
Tags / Science and math /
Computational chemistry
Software for molecular modeling, molecular dynamics, quantum chemistry, or cheminformatics.
The 53repositories with this Tag gained +997 net stars in the last 30 days, 196% more than the 30 days before.
1 created in the last 90 days · 5 published a release in the last 30 days · 46K stars in total
Oct 6, 2026Nov 4, 2026
Largest Pace, last 30 days
No other repository gained 2 or more times the net stars of the 30 days before.
Most stars, created in the last 90 days
microsoft/bioemu2The repository host gives no description.
496
stars in total · created 2 months ago
Where the stars went, last 13 weeks
Net stars gained each week. The repositories that gained the most have their own color.
microsoft/bioemu2 gained 10% of the net stars of this Tag in the last 13 weeks. It was created on Aug 24, 2026.
- microsoft/bioemu210%
- deepchem/deepchem16%
- jwohlwend/boltz11%
- rdkit/rdkit10%
- lammps/lammps9%
- All other repositories44%
Compare growth
53 repositories with this Tag. Select a column name to change the order.
| # | Repository | Stars | Gained, 90 days | Pace | |
|---|---|---|---|---|---|
| 41 | mcs07/MolVS Molecule Validation and Standardization | 189 | +3 | – | |
| 42 | devalab/molgpt The repository host gives no description. | 178 | +3 | – | |
| 43 | wengong-jin/icml18-jtnn Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018) | 564 | +2 | – | |
| 44 | pschwllr/MolecularTransformer The repository host gives no description. | 429 | +2 | – | |
| 45 | MolecularAI/Reinventarchived The repository host gives no description. | 378 | +2 | – | |
| 46 | bp-kelley/descriptastorus Descriptor computation(chemistry) and (optional) storage for machine learning | 282 | +2 | – | |
| 47 | blender-nlp/MolT5 Associated Repository for "Translation between Molecules and Natural Language" | 195 | +2 | – | |
| 48 | EBjerrum/rdeditor Simple RDKit molecule editor GUI using PySide | 181 | +2 | – | |
| 49 | hachmannlab/chemml ChemML is a machine learning and informatics program suite for the chemical and materials sciences. | 180 | +2 | – | |
| 50 | PatWalters/rd_filters A script to run structural alerts using the RDKit and ChEMBL | 173 | +2 | – | |
| 51 | chao1224/ChatDrug LLM for Drug Editing, ICLR 2024 | 163 | +2 | – | |
| 52 | samoturk/mol2vecarchived Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures | 294 | +1 | – | |
| 53 | cimm-kzn/CGRtools CGRs, molecules and reactions manipulation | 53 | +1 | – |
Faster than the 30 days before
Net stars of the last 30 days are 2 or more times those of the 30 days before.
No repository with this Tag meets this rule now.
Slower than the 30 days before
Net stars of the last 30 days are 50% or less of those of the 30 days before.
No repository with this Tag meets this rule now.
New in the last 90 days
Created on GitHub in the last 90 days.
- microsoft/bioemu20 · 2 months ago
Older than 2 years, still releasing
Created more than 2 years ago, with a push in the last 7 days and a GitHub release in the last 30 days.
- lammps/lammps3.1K · release 3 days ago
- hachmannlab/chemml180 · release 8 days ago
- JChemPaint/jchempaint149 · release 5 days ago
Last release more than 180 days ago
The newest GitHub release is more than 180 days old. A repository that never published a release is not in this list.
- deepchem/deepchem7.1K · release 2 years ago
- jwohlwend/boltz4.3K · release last year
- gcorso/DiffDock1.6K · release 2 years ago
- kexinhuang12345/DeepPurpose1.2K · release 5 years ago
- deepmodeling/Uni-Mol1.2K · release 2 years ago
Top GitHub topics with this Tag
- drug-discovery13
- cheminformatics11
- chemistry11
- python10
- deep-learning8
- machine-learning8
- computational-chemistry4
- drug-design4
- molecular-modeling4
- molecule4
- bioinformatics3
- biology3
- c-plus-plus3
- computational-biology3
- java3
- qsar3
- quantum-chemistry3
- rdkit3
- blueobelisk2
- chemical-kinetics2
- diffusion-models2
- drug2
- equivariance2
- geometric-deep-learning2
Primary languages
How a repository gets this Tag
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How the numbers are counted
All numbers come from the Star History of the repositories that have the Tag now. A period is a run of complete UTC days. All numbers on this page count only the repositories that AwesomeRepos shows in lists. A machine computes them each hour.
For each repository, a period counts only when Star History has each of its days, or when the repository was created in the period. Otherwise the table shows "–". The bars of a week with no complete data are grey.
The Pace is the net stars of a period divided by the net stars of the period before. It shows only when Star History covers each day of the period before, with at least 3 net stars a day on average.
The chart at the top adds up the net stars of all the repositories with the Tag. A rising Admission comes into the Repository Index because it gained stars quickly. Its Star History before its Admission comes from the Repository Host. Thus the days before many rising Admissions are higher than they were for the repositories in the index at that time.
The releases are the GitHub releases of each repository. The lists and the table do not rank repositories, and they do not say that one repository can replace another.